USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1087 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 93 ASN : amide:sc= -0.899 K(o=-5.9,f=-5) USER MOD Set 1.2: B 97 GLN : amide:sc= -5! C(o=-5.9!,f=-7.8!) USER MOD Set 2.1: B 89 SER OG : rot 160:sc= 0.121 USER MOD Set 2.2: B 92 MET CE :methyl -163:sc= -0.144 (180deg=-0.808) USER MOD Set 3.1: B 72 HIS : no HE2:sc= 0.206 K(o=-1.4,f=-6.1!) USER MOD Set 3.2: B 116 ASN : amide:sc= -1.63 K(o=-1.4,f=-4.3!) USER MOD Set 4.1: B 54 TYR OH : rot 30:sc= -0.294 USER MOD Set 4.2: B 61 GLN : amide:sc= -0.257 X(o=-0.55,f=-0.062) USER MOD Single : A 1 GLY N :NH3+ -166:sc= 1.46 (180deg=1.19) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -137:sc= -0.177 (180deg=-0.775) USER MOD Single : A 7 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.0016) USER MOD Single : A 9 ASN : amide:sc= -0.663 K(o=-0.66,f=-0.016) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.721 K(o=-0.72,f=-1.7!) USER MOD Single : A 27 TYR OH : rot 165:sc= 0.0237 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.14) USER MOD Single : A 32 GLN : amide:sc= -0.8 K(o=-0.8,f=-0.078) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 MET CE :methyl -161:sc= -0.14 (180deg=-0.707) USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ -154:sc= 1.13 (180deg=0.789) USER MOD Single : B 47 THR OG1 : rot 76:sc= 1.23 USER MOD Single : B 48 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.19) USER MOD Single : B 55 GLN : amide:sc= 0.0543 K(o=0.054,f=-0.7) USER MOD Single : B 56 ASN : amide:sc= 1.22 K(o=1.2,f=-0.22) USER MOD Single : B 57 SER OG : rot 89:sc= 0.125 USER MOD Single : B 65 LYS NZ :NH3+ -161:sc= -0.0714 (180deg=-0.429) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc=-0.00177 K(o=-0.0018,f=-1.3) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0269) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 63:sc= 1.09 USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 85 ASN : amide:sc= -0.048 X(o=-0.048,f=0) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 SER OG : rot 180:sc= 0.00179 USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 1.15 (180deg=1.15) USER MOD Single : B 103 ASN : amide:sc= 0.502 K(o=0.5,f=-0.13) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -0.125 K(o=-0.13,f=-0.98) USER MOD Single : B 107 THR OG1 : rot -9:sc= 1.21 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 115 TYR OH : rot 79:sc= 0.0276 USER MOD Single : B 123 CYS SG : rot 69:sc= 0.943 USER MOD Single : B 124 GLN : amide:sc= 0.9 K(o=0.9,f=-1.2) USER MOD Single : B 129 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.16) USER MOD Single : B 131 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : B 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 135 LYS NZ :NH3+ -161:sc= -0.0495 (180deg=-0.321) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.632 -4.782 -12.505 1.00 0.00 N ATOM 2 CA GLY A 1 19.944 -5.581 -13.712 1.00 0.00 C ATOM 3 C GLY A 1 19.591 -4.843 -14.984 1.00 0.00 C ATOM 4 O GLY A 1 18.795 -3.903 -14.952 1.00 0.00 O ATOM 0 H1 GLY A 1 20.097 -5.207 -11.677 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.977 -3.809 -12.634 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.603 -4.767 -12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.005 -5.829 -13.719 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.397 -6.523 -13.675 1.00 0.00 H new ATOM 10 N PRO A 2 20.173 -5.240 -16.126 1.00 0.00 N ATOM 11 CA PRO A 2 19.913 -4.600 -17.416 1.00 0.00 C ATOM 12 C PRO A 2 18.476 -4.812 -17.882 1.00 0.00 C ATOM 13 O PRO A 2 18.109 -5.907 -18.307 1.00 0.00 O ATOM 14 CB PRO A 2 20.890 -5.294 -18.376 1.00 0.00 C ATOM 15 CG PRO A 2 21.879 -5.985 -17.503 1.00 0.00 C ATOM 16 CD PRO A 2 21.135 -6.344 -16.254 1.00 0.00 C ATOM 0 HA PRO A 2 20.048 -3.520 -17.364 1.00 0.00 H new ATOM 0 HB2 PRO A 2 20.371 -6.004 -19.020 1.00 0.00 H new ATOM 0 HB3 PRO A 2 21.380 -4.571 -19.029 1.00 0.00 H new ATOM 0 HG2 PRO A 2 22.278 -6.875 -17.991 1.00 0.00 H new ATOM 0 HG3 PRO A 2 22.726 -5.336 -17.281 1.00 0.00 H new ATOM 0 HD2 PRO A 2 20.636 -7.309 -16.343 1.00 0.00 H new ATOM 0 HD3 PRO A 2 21.798 -6.406 -15.391 1.00 0.00 H new ATOM 24 N HIS A 3 17.676 -3.751 -17.793 1.00 0.00 N ATOM 25 CA HIS A 3 16.269 -3.778 -18.202 1.00 0.00 C ATOM 26 C HIS A 3 15.469 -4.752 -17.356 1.00 0.00 C ATOM 27 O HIS A 3 15.353 -5.936 -17.679 1.00 0.00 O ATOM 28 CB HIS A 3 16.117 -4.122 -19.691 1.00 0.00 C ATOM 29 CG HIS A 3 16.795 -3.155 -20.609 1.00 0.00 C ATOM 30 ND1 HIS A 3 16.269 -1.923 -20.930 1.00 0.00 N ATOM 31 CD2 HIS A 3 17.974 -3.240 -21.267 1.00 0.00 C ATOM 32 CE1 HIS A 3 17.094 -1.293 -21.742 1.00 0.00 C ATOM 33 NE2 HIS A 3 18.137 -2.069 -21.962 1.00 0.00 N ATOM 0 H HIS A 3 17.983 -2.847 -17.435 1.00 0.00 H new ATOM 0 HA HIS A 3 15.873 -2.775 -18.044 1.00 0.00 H new ATOM 0 HB2 HIS A 3 16.521 -5.119 -19.867 1.00 0.00 H new ATOM 0 HB3 HIS A 3 15.056 -4.160 -19.939 1.00 0.00 H new ATOM 0 HD2 HIS A 3 18.659 -4.075 -21.248 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.942 -0.308 -22.157 1.00 0.00 H new ATOM 0 HE2 HIS A 3 18.935 -1.836 -22.553 1.00 0.00 H new ATOM 42 N MET A 4 14.917 -4.238 -16.274 1.00 0.00 N ATOM 43 CA MET A 4 14.137 -5.042 -15.354 1.00 0.00 C ATOM 44 C MET A 4 13.120 -4.166 -14.641 1.00 0.00 C ATOM 45 O MET A 4 13.085 -2.955 -14.861 1.00 0.00 O ATOM 46 CB MET A 4 15.060 -5.714 -14.341 1.00 0.00 C ATOM 47 CG MET A 4 15.763 -4.736 -13.411 1.00 0.00 C ATOM 48 SD MET A 4 16.717 -5.560 -12.123 1.00 0.00 S ATOM 49 CE MET A 4 15.406 -6.371 -11.212 1.00 0.00 C ATOM 0 H MET A 4 14.996 -3.256 -16.009 1.00 0.00 H new ATOM 0 HA MET A 4 13.607 -5.815 -15.911 1.00 0.00 H new ATOM 0 HB2 MET A 4 14.479 -6.416 -13.743 1.00 0.00 H new ATOM 0 HB3 MET A 4 15.810 -6.296 -14.876 1.00 0.00 H new ATOM 0 HG2 MET A 4 16.426 -4.098 -13.996 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.021 -4.085 -12.948 1.00 0.00 H new ATOM 0 HE1 MET A 4 15.582 -6.257 -10.142 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.449 -5.920 -11.473 1.00 0.00 H new ATOM 0 HE3 MET A 4 15.388 -7.431 -11.466 1.00 0.00 H new ATOM 59 N PHE A 5 12.295 -4.763 -13.795 1.00 0.00 N ATOM 60 CA PHE A 5 11.330 -3.992 -13.026 1.00 0.00 C ATOM 61 C PHE A 5 12.050 -3.167 -11.964 1.00 0.00 C ATOM 62 O PHE A 5 13.104 -3.563 -11.459 1.00 0.00 O ATOM 63 CB PHE A 5 10.281 -4.906 -12.373 1.00 0.00 C ATOM 64 CG PHE A 5 10.810 -5.782 -11.267 1.00 0.00 C ATOM 65 CD1 PHE A 5 11.422 -6.991 -11.552 1.00 0.00 C ATOM 66 CD2 PHE A 5 10.691 -5.393 -9.941 1.00 0.00 C ATOM 67 CE1 PHE A 5 11.906 -7.794 -10.538 1.00 0.00 C ATOM 68 CE2 PHE A 5 11.173 -6.193 -8.923 1.00 0.00 C ATOM 69 CZ PHE A 5 11.781 -7.395 -9.222 1.00 0.00 C ATOM 0 H PHE A 5 12.273 -5.768 -13.624 1.00 0.00 H new ATOM 0 HA PHE A 5 10.809 -3.320 -13.708 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.477 -4.287 -11.975 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.843 -5.541 -13.143 1.00 0.00 H new ATOM 0 HD1 PHE A 5 11.522 -7.310 -12.579 1.00 0.00 H new ATOM 0 HD2 PHE A 5 10.216 -4.453 -9.701 1.00 0.00 H new ATOM 0 HE1 PHE A 5 12.382 -8.734 -10.774 1.00 0.00 H new ATOM 0 HE2 PHE A 5 11.074 -5.878 -7.895 1.00 0.00 H new ATOM 0 HZ PHE A 5 12.158 -8.023 -8.428 1.00 0.00 H new ATOM 79 N ALA A 6 11.484 -2.019 -11.644 1.00 0.00 N ATOM 80 CA ALA A 6 12.048 -1.146 -10.639 1.00 0.00 C ATOM 81 C ALA A 6 11.548 -1.548 -9.265 1.00 0.00 C ATOM 82 O ALA A 6 10.505 -2.185 -9.129 1.00 0.00 O ATOM 83 CB ALA A 6 11.701 0.305 -10.933 1.00 0.00 C ATOM 0 H ALA A 6 10.626 -1.669 -12.071 1.00 0.00 H new ATOM 0 HA ALA A 6 13.133 -1.244 -10.659 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.135 0.946 -10.165 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.101 0.585 -11.907 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.618 0.426 -10.937 1.00 0.00 H new ATOM 89 N ASN A 7 12.288 -1.149 -8.251 1.00 0.00 N ATOM 90 CA ASN A 7 12.024 -1.561 -6.884 1.00 0.00 C ATOM 91 C ASN A 7 11.091 -0.576 -6.204 1.00 0.00 C ATOM 92 O ASN A 7 10.868 -0.645 -4.998 1.00 0.00 O ATOM 93 CB ASN A 7 13.344 -1.668 -6.119 1.00 0.00 C ATOM 94 CG ASN A 7 14.241 -2.760 -6.674 1.00 0.00 C ATOM 95 OD1 ASN A 7 14.353 -3.844 -6.097 1.00 0.00 O ATOM 96 ND2 ASN A 7 14.850 -2.502 -7.825 1.00 0.00 N ATOM 0 H ASN A 7 13.092 -0.529 -8.350 1.00 0.00 H new ATOM 0 HA ASN A 7 11.538 -2.536 -6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 7 13.867 -0.713 -6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.138 -1.869 -5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 7 15.435 -3.213 -8.263 1.00 0.00 H new ATOM 0 HD22 ASN A 7 14.732 -1.593 -8.272 1.00 0.00 H new ATOM 103 N GLU A 8 10.537 0.331 -7.005 1.00 0.00 N ATOM 104 CA GLU A 8 9.602 1.340 -6.524 1.00 0.00 C ATOM 105 C GLU A 8 8.435 0.698 -5.779 1.00 0.00 C ATOM 106 O GLU A 8 8.043 1.154 -4.709 1.00 0.00 O ATOM 107 CB GLU A 8 9.085 2.173 -7.701 1.00 0.00 C ATOM 108 CG GLU A 8 8.564 1.333 -8.859 1.00 0.00 C ATOM 109 CD GLU A 8 8.054 2.170 -10.010 1.00 0.00 C ATOM 110 OE1 GLU A 8 8.872 2.858 -10.658 1.00 0.00 O ATOM 111 OE2 GLU A 8 6.839 2.132 -10.286 1.00 0.00 O1- ATOM 0 H GLU A 8 10.725 0.386 -8.006 1.00 0.00 H new ATOM 0 HA GLU A 8 10.129 1.991 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.287 2.827 -7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.888 2.815 -8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.361 0.681 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.761 0.688 -8.501 1.00 0.00 H new ATOM 118 N ASN A 9 7.908 -0.379 -6.343 1.00 0.00 N ATOM 119 CA ASN A 9 6.795 -1.102 -5.739 1.00 0.00 C ATOM 120 C ASN A 9 7.207 -1.734 -4.421 1.00 0.00 C ATOM 121 O ASN A 9 6.431 -1.763 -3.472 1.00 0.00 O ATOM 122 CB ASN A 9 6.268 -2.172 -6.694 1.00 0.00 C ATOM 123 CG ASN A 9 7.390 -2.876 -7.422 1.00 0.00 C ATOM 124 OD1 ASN A 9 7.953 -3.855 -6.933 1.00 0.00 O ATOM 125 ND2 ASN A 9 7.725 -2.368 -8.595 1.00 0.00 N ATOM 0 H ASN A 9 8.235 -0.775 -7.224 1.00 0.00 H new ATOM 0 HA ASN A 9 5.998 -0.385 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.683 -2.902 -6.135 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.596 -1.713 -7.419 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.480 -2.789 -9.136 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.229 -1.555 -8.959 1.00 0.00 H new ATOM 132 N SER A 10 8.435 -2.226 -4.363 1.00 0.00 N ATOM 133 CA SER A 10 8.962 -2.809 -3.142 1.00 0.00 C ATOM 134 C SER A 10 9.023 -1.754 -2.036 1.00 0.00 C ATOM 135 O SER A 10 8.760 -2.046 -0.867 1.00 0.00 O ATOM 136 CB SER A 10 10.345 -3.401 -3.406 1.00 0.00 C ATOM 137 OG SER A 10 10.306 -4.315 -4.493 1.00 0.00 O ATOM 0 H SER A 10 9.085 -2.232 -5.149 1.00 0.00 H new ATOM 0 HA SER A 10 8.300 -3.609 -2.811 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.052 -2.601 -3.624 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.704 -3.909 -2.511 1.00 0.00 H new ATOM 0 HG SER A 10 11.202 -4.680 -4.645 1.00 0.00 H new ATOM 143 N GLN A 11 9.361 -0.525 -2.419 1.00 0.00 N ATOM 144 CA GLN A 11 9.355 0.601 -1.497 1.00 0.00 C ATOM 145 C GLN A 11 7.935 0.890 -1.022 1.00 0.00 C ATOM 146 O GLN A 11 7.696 1.116 0.164 1.00 0.00 O ATOM 147 CB GLN A 11 9.936 1.833 -2.176 1.00 0.00 C ATOM 148 CG GLN A 11 11.231 1.559 -2.908 1.00 0.00 C ATOM 149 CD GLN A 11 11.980 2.826 -3.221 1.00 0.00 C ATOM 150 OE1 GLN A 11 11.799 3.433 -4.273 1.00 0.00 O ATOM 151 NE2 GLN A 11 12.822 3.230 -2.294 1.00 0.00 N ATOM 0 H GLN A 11 9.644 -0.286 -3.369 1.00 0.00 H new ATOM 0 HA GLN A 11 9.969 0.347 -0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.205 2.229 -2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.107 2.606 -1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.859 0.907 -2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.018 1.025 -3.834 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.935 2.689 -1.437 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.361 4.085 -2.432 1.00 0.00 H new ATOM 160 N LEU A 12 6.997 0.872 -1.970 1.00 0.00 N ATOM 161 CA LEU A 12 5.580 1.098 -1.681 1.00 0.00 C ATOM 162 C LEU A 12 5.078 0.117 -0.629 1.00 0.00 C ATOM 163 O LEU A 12 4.366 0.490 0.304 1.00 0.00 O ATOM 164 CB LEU A 12 4.749 0.925 -2.953 1.00 0.00 C ATOM 165 CG LEU A 12 5.182 1.775 -4.145 1.00 0.00 C ATOM 166 CD1 LEU A 12 4.367 1.413 -5.369 1.00 0.00 C ATOM 167 CD2 LEU A 12 5.038 3.255 -3.830 1.00 0.00 C ATOM 0 H LEU A 12 7.197 0.701 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 12 5.474 2.115 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.782 -0.124 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.710 1.159 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 12 6.233 1.571 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.685 2.026 -6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.518 0.360 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.311 1.592 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.352 3.843 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.997 3.478 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.662 3.507 -2.973 1.00 0.00 H new ATOM 179 N LEU A 13 5.476 -1.138 -0.789 1.00 0.00 N ATOM 180 CA LEU A 13 4.983 -2.229 0.044 1.00 0.00 C ATOM 181 C LEU A 13 5.346 -2.044 1.511 1.00 0.00 C ATOM 182 O LEU A 13 4.479 -2.135 2.377 1.00 0.00 O ATOM 183 CB LEU A 13 5.533 -3.557 -0.467 1.00 0.00 C ATOM 184 CG LEU A 13 5.177 -3.876 -1.917 1.00 0.00 C ATOM 185 CD1 LEU A 13 5.768 -5.208 -2.330 1.00 0.00 C ATOM 186 CD2 LEU A 13 3.672 -3.868 -2.116 1.00 0.00 C ATOM 0 H LEU A 13 6.149 -1.429 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 13 3.895 -2.228 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.618 -3.549 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.160 -4.359 0.170 1.00 0.00 H new ATOM 0 HG LEU A 13 5.606 -3.101 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.503 -5.418 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.853 -5.170 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.373 -5.996 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.441 -4.098 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.215 -4.617 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.277 -2.883 -1.866 1.00 0.00 H new ATOM 198 N ASP A 14 6.618 -1.784 1.793 1.00 0.00 N ATOM 199 CA ASP A 14 7.063 -1.621 3.176 1.00 0.00 C ATOM 200 C ASP A 14 6.485 -0.349 3.785 1.00 0.00 C ATOM 201 O ASP A 14 6.331 -0.248 4.999 1.00 0.00 O ATOM 202 CB ASP A 14 8.591 -1.618 3.284 1.00 0.00 C ATOM 203 CG ASP A 14 9.189 -3.009 3.158 1.00 0.00 C ATOM 204 OD1 ASP A 14 8.968 -3.849 4.061 1.00 0.00 O ATOM 205 OD2 ASP A 14 9.895 -3.270 2.164 1.00 0.00 O1- ATOM 0 H ASP A 14 7.353 -1.682 1.093 1.00 0.00 H new ATOM 0 HA ASP A 14 6.692 -2.478 3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.005 -0.977 2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.883 -1.187 4.241 1.00 0.00 H new ATOM 210 N PHE A 15 6.150 0.606 2.931 1.00 0.00 N ATOM 211 CA PHE A 15 5.500 1.838 3.360 1.00 0.00 C ATOM 212 C PHE A 15 4.095 1.527 3.874 1.00 0.00 C ATOM 213 O PHE A 15 3.750 1.847 5.011 1.00 0.00 O ATOM 214 CB PHE A 15 5.442 2.802 2.175 1.00 0.00 C ATOM 215 CG PHE A 15 5.024 4.204 2.507 1.00 0.00 C ATOM 216 CD1 PHE A 15 3.690 4.576 2.462 1.00 0.00 C ATOM 217 CD2 PHE A 15 5.974 5.164 2.814 1.00 0.00 C ATOM 218 CE1 PHE A 15 3.312 5.878 2.724 1.00 0.00 C ATOM 219 CE2 PHE A 15 5.603 6.468 3.066 1.00 0.00 C ATOM 220 CZ PHE A 15 4.270 6.824 3.021 1.00 0.00 C ATOM 0 H PHE A 15 6.319 0.551 1.927 1.00 0.00 H new ATOM 0 HA PHE A 15 6.065 2.300 4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.426 2.835 1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.750 2.400 1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.938 3.840 2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.017 4.888 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.268 6.155 2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.354 7.209 3.298 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.977 7.845 3.219 1.00 0.00 H new ATOM 230 N ILE A 16 3.299 0.889 3.019 1.00 0.00 N ATOM 231 CA ILE A 16 1.971 0.392 3.387 1.00 0.00 C ATOM 232 C ILE A 16 2.067 -0.510 4.615 1.00 0.00 C ATOM 233 O ILE A 16 1.227 -0.467 5.519 1.00 0.00 O ATOM 234 CB ILE A 16 1.348 -0.417 2.225 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.296 0.428 0.951 1.00 0.00 C ATOM 236 CG2 ILE A 16 -0.046 -0.910 2.594 1.00 0.00 C ATOM 237 CD1 ILE A 16 0.967 -0.374 -0.290 1.00 0.00 C ATOM 0 H ILE A 16 3.555 0.701 2.050 1.00 0.00 H new ATOM 0 HA ILE A 16 1.341 1.254 3.607 1.00 0.00 H new ATOM 0 HB ILE A 16 1.979 -1.286 2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.550 1.213 1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.258 0.921 0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.464 -1.476 1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.016 -1.550 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.688 -0.056 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.947 0.288 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.726 -1.142 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.008 -0.845 -0.171 1.00 0.00 H new ATOM 249 N ARG A 17 3.113 -1.318 4.623 1.00 0.00 N ATOM 250 CA ARG A 17 3.395 -2.243 5.704 1.00 0.00 C ATOM 251 C ARG A 17 3.546 -1.496 7.029 1.00 0.00 C ATOM 252 O ARG A 17 2.937 -1.864 8.034 1.00 0.00 O ATOM 253 CB ARG A 17 4.671 -3.009 5.354 1.00 0.00 C ATOM 254 CG ARG A 17 5.004 -4.176 6.259 1.00 0.00 C ATOM 255 CD ARG A 17 6.161 -4.970 5.673 1.00 0.00 C ATOM 256 NE ARG A 17 6.616 -6.037 6.558 1.00 0.00 N ATOM 257 CZ ARG A 17 7.819 -6.602 6.480 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.707 -6.171 5.588 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 8.142 -7.587 7.310 1.00 0.00 N ATOM 0 H ARG A 17 3.799 -1.350 3.868 1.00 0.00 H new ATOM 0 HA ARG A 17 2.568 -2.943 5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.582 -3.379 4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.508 -2.311 5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.266 -3.814 7.253 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.131 -4.819 6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.855 -5.400 4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.992 -4.295 5.467 1.00 0.00 H new ATOM 0 HE ARG A 17 5.975 -6.369 7.278 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.468 -5.404 4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.627 -6.607 5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.469 -7.909 8.005 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.063 -8.021 7.252 1.00 0.00 H new ATOM 273 N GLU A 18 4.336 -0.427 7.014 1.00 0.00 N ATOM 274 CA GLU A 18 4.539 0.391 8.201 1.00 0.00 C ATOM 275 C GLU A 18 3.266 1.140 8.583 1.00 0.00 C ATOM 276 O GLU A 18 2.994 1.349 9.765 1.00 0.00 O ATOM 277 CB GLU A 18 5.695 1.371 7.992 1.00 0.00 C ATOM 278 CG GLU A 18 7.046 0.680 7.912 1.00 0.00 C ATOM 279 CD GLU A 18 8.216 1.646 7.931 1.00 0.00 C ATOM 280 OE1 GLU A 18 8.032 2.808 8.353 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 9.335 1.233 7.551 1.00 0.00 O ATOM 0 H GLU A 18 4.846 -0.108 6.190 1.00 0.00 H new ATOM 0 HA GLU A 18 4.795 -0.277 9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.526 1.935 7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.708 2.090 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.142 -0.013 8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.089 0.086 6.999 1.00 0.00 H new ATOM 288 N LEU A 19 2.481 1.534 7.583 1.00 0.00 N ATOM 289 CA LEU A 19 1.204 2.195 7.837 1.00 0.00 C ATOM 290 C LEU A 19 0.300 1.294 8.664 1.00 0.00 C ATOM 291 O LEU A 19 -0.254 1.710 9.681 1.00 0.00 O ATOM 292 CB LEU A 19 0.478 2.539 6.529 1.00 0.00 C ATOM 293 CG LEU A 19 1.197 3.474 5.567 1.00 0.00 C ATOM 294 CD1 LEU A 19 0.394 3.627 4.283 1.00 0.00 C ATOM 295 CD2 LEU A 19 1.419 4.830 6.198 1.00 0.00 C ATOM 0 H LEU A 19 2.705 1.408 6.596 1.00 0.00 H new ATOM 0 HA LEU A 19 1.420 3.116 8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.267 1.608 6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.483 2.987 6.782 1.00 0.00 H new ATOM 0 HG LEU A 19 2.168 3.038 5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.919 4.298 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.275 2.652 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.588 4.040 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.934 5.480 5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.457 5.270 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.025 4.718 7.097 1.00 0.00 H new ATOM 307 N GLY A 20 0.137 0.059 8.209 1.00 0.00 N ATOM 308 CA GLY A 20 -0.702 -0.890 8.912 1.00 0.00 C ATOM 309 C GLY A 20 -0.134 -1.279 10.259 1.00 0.00 C ATOM 310 O GLY A 20 -0.880 -1.616 11.176 1.00 0.00 O ATOM 0 H GLY A 20 0.573 -0.303 7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.694 -0.460 9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.824 -1.784 8.301 1.00 0.00 H new ATOM 314 N ASP A 21 1.185 -1.208 10.385 1.00 0.00 N ATOM 315 CA ASP A 21 1.858 -1.598 11.620 1.00 0.00 C ATOM 316 C ASP A 21 1.549 -0.618 12.751 1.00 0.00 C ATOM 317 O ASP A 21 1.540 -0.990 13.926 1.00 0.00 O ATOM 318 CB ASP A 21 3.369 -1.688 11.395 1.00 0.00 C ATOM 319 CG ASP A 21 4.096 -2.291 12.578 1.00 0.00 C ATOM 320 OD1 ASP A 21 3.992 -3.520 12.781 1.00 0.00 O1- ATOM 321 OD2 ASP A 21 4.777 -1.547 13.312 1.00 0.00 O ATOM 0 H ASP A 21 1.811 -0.884 9.648 1.00 0.00 H new ATOM 0 HA ASP A 21 1.484 -2.579 11.912 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.566 -2.289 10.507 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.764 -0.691 11.199 1.00 0.00 H new ATOM 326 N VAL A 22 1.284 0.635 12.396 1.00 0.00 N ATOM 327 CA VAL A 22 0.947 1.650 13.389 1.00 0.00 C ATOM 328 C VAL A 22 -0.553 1.917 13.415 1.00 0.00 C ATOM 329 O VAL A 22 -1.059 2.585 14.318 1.00 0.00 O ATOM 330 CB VAL A 22 1.700 2.974 13.148 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.181 2.795 13.422 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.476 3.478 11.731 1.00 0.00 C ATOM 0 H VAL A 22 1.296 0.971 11.433 1.00 0.00 H new ATOM 0 HA VAL A 22 1.259 1.252 14.354 1.00 0.00 H new ATOM 0 HB VAL A 22 1.305 3.721 13.837 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.700 3.738 13.248 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.325 2.488 14.458 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.584 2.031 12.758 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.018 4.413 11.587 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.838 2.736 11.019 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.411 3.647 11.569 1.00 0.00 H new ATOM 342 N GLY A 23 -1.259 1.398 12.422 1.00 0.00 N ATOM 343 CA GLY A 23 -2.701 1.523 12.401 1.00 0.00 C ATOM 344 C GLY A 23 -3.191 2.693 11.574 1.00 0.00 C ATOM 345 O GLY A 23 -4.295 3.191 11.782 1.00 0.00 O ATOM 0 H GLY A 23 -0.859 0.893 11.631 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.132 0.603 12.007 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.064 1.633 13.423 1.00 0.00 H new ATOM 349 N LEU A 24 -2.377 3.133 10.632 1.00 0.00 N ATOM 350 CA LEU A 24 -2.757 4.231 9.757 1.00 0.00 C ATOM 351 C LEU A 24 -3.340 3.705 8.454 1.00 0.00 C ATOM 352 O LEU A 24 -4.120 4.384 7.788 1.00 0.00 O ATOM 353 CB LEU A 24 -1.552 5.131 9.487 1.00 0.00 C ATOM 354 CG LEU A 24 -1.080 5.937 10.696 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.199 6.690 10.377 1.00 0.00 C ATOM 356 CD2 LEU A 24 -2.164 6.902 11.147 1.00 0.00 C ATOM 0 H LEU A 24 -1.449 2.749 10.452 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.526 4.821 10.255 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.726 4.514 9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.803 5.821 8.682 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.873 5.241 11.509 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.516 7.257 11.253 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.980 5.981 10.102 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.021 7.374 9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.811 7.468 12.009 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.401 7.589 10.334 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.058 6.342 11.422 1.00 0.00 H new ATOM 368 N LEU A 25 -2.951 2.492 8.097 1.00 0.00 N ATOM 369 CA LEU A 25 -3.483 1.838 6.912 1.00 0.00 C ATOM 370 C LEU A 25 -4.782 1.118 7.259 1.00 0.00 C ATOM 371 O LEU A 25 -5.637 0.898 6.401 1.00 0.00 O ATOM 372 CB LEU A 25 -2.433 0.855 6.389 1.00 0.00 C ATOM 373 CG LEU A 25 -2.680 0.238 5.016 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.632 -0.929 5.114 1.00 0.00 C ATOM 375 CD2 LEU A 25 -3.194 1.284 4.038 1.00 0.00 C ATOM 0 H LEU A 25 -2.267 1.939 8.612 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.704 2.573 6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.473 1.370 6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.339 0.045 7.112 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.730 -0.137 4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.792 -1.352 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.208 -1.690 5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.584 -0.589 5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.363 0.821 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.130 1.700 4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.457 2.081 3.937 1.00 0.00 H new ATOM 387 N GLU A 26 -4.917 0.785 8.534 1.00 0.00 N ATOM 388 CA GLU A 26 -6.112 0.132 9.054 1.00 0.00 C ATOM 389 C GLU A 26 -7.378 0.874 8.639 1.00 0.00 C ATOM 390 O GLU A 26 -7.425 2.104 8.653 1.00 0.00 O ATOM 391 CB GLU A 26 -6.040 0.036 10.575 1.00 0.00 C ATOM 392 CG GLU A 26 -5.113 -1.059 11.075 1.00 0.00 C ATOM 393 CD GLU A 26 -5.246 -1.288 12.566 1.00 0.00 C ATOM 394 OE1 GLU A 26 -6.341 -1.693 13.015 1.00 0.00 O1- ATOM 395 OE2 GLU A 26 -4.268 -1.053 13.302 1.00 0.00 O ATOM 0 H GLU A 26 -4.201 0.960 9.239 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.154 -0.871 8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.706 0.993 10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.042 -0.141 10.967 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.332 -1.987 10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.082 -0.794 10.841 1.00 0.00 H new ATOM 402 N TYR A 27 -8.401 0.119 8.281 1.00 0.00 N ATOM 403 CA TYR A 27 -9.623 0.689 7.741 1.00 0.00 C ATOM 404 C TYR A 27 -10.835 -0.088 8.240 1.00 0.00 C ATOM 405 O TYR A 27 -10.690 -1.100 8.931 1.00 0.00 O ATOM 406 CB TYR A 27 -9.579 0.650 6.208 1.00 0.00 C ATOM 407 CG TYR A 27 -9.660 -0.754 5.644 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.566 -1.606 5.683 1.00 0.00 C ATOM 409 CD2 TYR A 27 -10.841 -1.232 5.087 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.643 -2.891 5.187 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.923 -2.517 4.585 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.822 -3.342 4.640 1.00 0.00 C ATOM 413 OH TYR A 27 -9.900 -4.624 4.150 1.00 0.00 O ATOM 0 H TYR A 27 -8.409 -0.898 8.355 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.706 1.723 8.075 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.404 1.242 5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.657 1.120 5.865 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.637 -1.257 6.109 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.708 -0.589 5.046 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.781 -3.540 5.228 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.846 -2.872 4.152 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.840 -4.869 4.022 1.00 0.00 H new ATOM 423 N GLU A 28 -12.019 0.380 7.880 1.00 0.00 N ATOM 424 CA GLU A 28 -13.251 -0.299 8.231 1.00 0.00 C ATOM 425 C GLU A 28 -14.326 0.029 7.200 1.00 0.00 C ATOM 426 O GLU A 28 -14.652 1.198 6.982 1.00 0.00 O ATOM 427 CB GLU A 28 -13.700 0.126 9.630 1.00 0.00 C ATOM 428 CG GLU A 28 -14.753 -0.785 10.232 1.00 0.00 C ATOM 429 CD GLU A 28 -14.270 -2.216 10.366 1.00 0.00 C ATOM 430 OE1 GLU A 28 -13.309 -2.459 11.128 1.00 0.00 O1- ATOM 431 OE2 GLU A 28 -14.843 -3.105 9.697 1.00 0.00 O ATOM 0 H GLU A 28 -12.151 1.235 7.340 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.084 -1.376 8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.832 0.150 10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.093 1.141 9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.038 -0.407 11.214 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.648 -0.763 9.610 1.00 0.00 H new ATOM 438 N LEU A 29 -14.855 -0.999 6.551 1.00 0.00 N ATOM 439 CA LEU A 29 -15.868 -0.814 5.517 1.00 0.00 C ATOM 440 C LEU A 29 -17.232 -1.242 6.025 1.00 0.00 C ATOM 441 O LEU A 29 -17.339 -2.014 6.976 1.00 0.00 O ATOM 442 CB LEU A 29 -15.529 -1.635 4.272 1.00 0.00 C ATOM 443 CG LEU A 29 -14.175 -1.346 3.636 1.00 0.00 C ATOM 444 CD1 LEU A 29 -13.913 -2.325 2.506 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.115 0.082 3.124 1.00 0.00 C ATOM 0 H LEU A 29 -14.600 -1.972 6.721 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.887 0.245 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.567 -2.692 4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.304 -1.464 3.525 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.402 -1.467 4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.943 -2.111 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.915 -3.342 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.692 -2.226 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.140 0.266 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.894 0.234 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.268 0.773 3.953 1.00 0.00 H new ATOM 457 N SER A 30 -18.269 -0.755 5.371 1.00 0.00 N ATOM 458 CA SER A 30 -19.626 -1.127 5.706 1.00 0.00 C ATOM 459 C SER A 30 -20.222 -1.915 4.546 1.00 0.00 C ATOM 460 O SER A 30 -19.577 -2.040 3.506 1.00 0.00 O ATOM 461 CB SER A 30 -20.448 0.126 6.004 1.00 0.00 C ATOM 462 OG SER A 30 -19.748 0.985 6.896 1.00 0.00 O ATOM 0 H SER A 30 -18.193 -0.094 4.597 1.00 0.00 H new ATOM 0 HA SER A 30 -19.636 -1.753 6.598 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.664 0.655 5.076 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.406 -0.157 6.440 1.00 0.00 H new ATOM 0 HG SER A 30 -20.289 1.783 7.074 1.00 0.00 H new ATOM 468 N GLN A 31 -21.428 -2.440 4.706 1.00 0.00 N ATOM 469 CA GLN A 31 -22.023 -3.302 3.685 1.00 0.00 C ATOM 470 C GLN A 31 -22.061 -2.630 2.314 1.00 0.00 C ATOM 471 O GLN A 31 -21.887 -3.290 1.289 1.00 0.00 O ATOM 472 CB GLN A 31 -23.430 -3.741 4.099 1.00 0.00 C ATOM 473 CG GLN A 31 -23.457 -5.009 4.938 1.00 0.00 C ATOM 474 CD GLN A 31 -22.508 -4.953 6.109 1.00 0.00 C ATOM 475 OE1 GLN A 31 -22.873 -4.538 7.209 1.00 0.00 O ATOM 476 NE2 GLN A 31 -21.279 -5.368 5.873 1.00 0.00 N ATOM 0 H GLN A 31 -22.014 -2.288 5.527 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.386 -4.183 3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -23.901 -2.935 4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.030 -3.897 3.202 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -24.470 -5.176 5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -23.201 -5.862 4.309 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -21.024 -5.703 4.944 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -20.584 -5.354 6.619 1.00 0.00 H new ATOM 485 N GLN A 32 -22.252 -1.318 2.299 1.00 0.00 N ATOM 486 CA GLN A 32 -22.334 -0.578 1.046 1.00 0.00 C ATOM 487 C GLN A 32 -20.977 -0.534 0.343 1.00 0.00 C ATOM 488 O GLN A 32 -20.861 -0.930 -0.817 1.00 0.00 O ATOM 489 CB GLN A 32 -22.850 0.839 1.300 1.00 0.00 C ATOM 490 CG GLN A 32 -23.026 1.667 0.037 1.00 0.00 C ATOM 491 CD GLN A 32 -23.996 1.050 -0.954 1.00 0.00 C ATOM 492 OE1 GLN A 32 -23.849 1.219 -2.164 1.00 0.00 O ATOM 493 NE2 GLN A 32 -25.002 0.344 -0.454 1.00 0.00 N ATOM 0 H GLN A 32 -22.353 -0.745 3.137 1.00 0.00 H new ATOM 0 HA GLN A 32 -23.035 -1.096 0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.806 0.779 1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -22.157 1.353 1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -23.379 2.662 0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -22.056 1.793 -0.445 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -25.090 0.226 0.555 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -25.687 -0.081 -1.079 1.00 0.00 H new ATOM 502 N GLU A 33 -19.950 -0.073 1.048 1.00 0.00 N ATOM 503 CA GLU A 33 -18.613 0.023 0.467 1.00 0.00 C ATOM 504 C GLU A 33 -17.987 -1.352 0.253 1.00 0.00 C ATOM 505 O GLU A 33 -17.057 -1.499 -0.533 1.00 0.00 O ATOM 506 CB GLU A 33 -17.683 0.920 1.294 1.00 0.00 C ATOM 507 CG GLU A 33 -17.965 0.919 2.780 1.00 0.00 C ATOM 508 CD GLU A 33 -19.098 1.851 3.160 1.00 0.00 C ATOM 509 OE1 GLU A 33 -18.846 3.058 3.338 1.00 0.00 O ATOM 510 OE2 GLU A 33 -20.243 1.375 3.279 1.00 0.00 O1- ATOM 0 H GLU A 33 -20.015 0.239 2.017 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.737 0.491 -0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.653 0.600 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -17.761 1.942 0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.211 -0.094 3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.063 1.212 3.317 1.00 0.00 H new ATOM 517 N LYS A 34 -18.504 -2.364 0.934 1.00 0.00 N ATOM 518 CA LYS A 34 -18.029 -3.724 0.724 1.00 0.00 C ATOM 519 C LYS A 34 -18.668 -4.324 -0.520 1.00 0.00 C ATOM 520 O LYS A 34 -18.068 -5.158 -1.196 1.00 0.00 O ATOM 521 CB LYS A 34 -18.323 -4.608 1.940 1.00 0.00 C ATOM 522 CG LYS A 34 -17.412 -4.343 3.125 1.00 0.00 C ATOM 523 CD LYS A 34 -17.656 -5.339 4.245 1.00 0.00 C ATOM 524 CE LYS A 34 -16.654 -5.171 5.374 1.00 0.00 C ATOM 525 NZ LYS A 34 -16.855 -6.181 6.446 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.244 -2.272 1.629 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.949 -3.681 0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.357 -4.454 2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.229 -5.654 1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.371 -4.400 2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.577 -3.331 3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.666 -5.210 4.633 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.593 -6.353 3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.642 -5.258 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.746 -4.170 5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.152 -6.033 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.812 -6.082 6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.742 -7.136 6.049 1.00 0.00 H new ATOM 539 N ASP A 35 -19.870 -3.864 -0.837 1.00 0.00 N ATOM 540 CA ASP A 35 -20.638 -4.413 -1.950 1.00 0.00 C ATOM 541 C ASP A 35 -19.995 -4.067 -3.285 1.00 0.00 C ATOM 542 O ASP A 35 -20.029 -4.857 -4.225 1.00 0.00 O ATOM 543 CB ASP A 35 -22.069 -3.878 -1.910 1.00 0.00 C ATOM 544 CG ASP A 35 -22.963 -4.523 -2.948 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.530 -5.601 -2.663 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -23.123 -3.951 -4.044 1.00 0.00 O ATOM 0 H ASP A 35 -20.338 -3.108 -0.337 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.652 -5.498 -1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.489 -4.048 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.054 -2.800 -2.069 1.00 0.00 H new ATOM 551 N VAL A 36 -19.389 -2.895 -3.357 1.00 0.00 N ATOM 552 CA VAL A 36 -18.797 -2.423 -4.599 1.00 0.00 C ATOM 553 C VAL A 36 -17.393 -2.992 -4.802 1.00 0.00 C ATOM 554 O VAL A 36 -16.885 -3.041 -5.924 1.00 0.00 O ATOM 555 CB VAL A 36 -18.741 -0.881 -4.638 1.00 0.00 C ATOM 556 CG1 VAL A 36 -20.141 -0.300 -4.547 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.863 -0.341 -3.518 1.00 0.00 C ATOM 0 H VAL A 36 -19.293 -2.252 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.435 -2.775 -5.409 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.300 -0.578 -5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.086 0.788 -4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.738 -0.655 -5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.606 -0.615 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.840 0.748 -3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.269 -0.652 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.851 -0.731 -3.629 1.00 0.00 H new ATOM 567 N LEU A 37 -16.764 -3.411 -3.714 1.00 0.00 N ATOM 568 CA LEU A 37 -15.413 -3.946 -3.778 1.00 0.00 C ATOM 569 C LEU A 37 -15.434 -5.464 -3.882 1.00 0.00 C ATOM 570 O LEU A 37 -14.826 -6.044 -4.784 1.00 0.00 O ATOM 571 CB LEU A 37 -14.614 -3.500 -2.555 1.00 0.00 C ATOM 572 CG LEU A 37 -14.614 -1.989 -2.318 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.798 -1.633 -1.088 1.00 0.00 C ATOM 574 CD2 LEU A 37 -14.086 -1.251 -3.540 1.00 0.00 C ATOM 0 H LEU A 37 -17.167 -3.391 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.929 -3.556 -4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.019 -3.994 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.584 -3.838 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.644 -1.676 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.814 -0.553 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.225 -2.124 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.769 -1.966 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.095 -0.178 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.066 -1.574 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.719 -1.472 -4.400 1.00 0.00 H new ATOM 586 N PHE A 38 -16.138 -6.106 -2.959 1.00 0.00 N ATOM 587 CA PHE A 38 -16.254 -7.559 -2.962 1.00 0.00 C ATOM 588 C PHE A 38 -17.230 -8.016 -4.030 1.00 0.00 C ATOM 589 O PHE A 38 -17.112 -9.119 -4.564 1.00 0.00 O ATOM 590 CB PHE A 38 -16.708 -8.072 -1.600 1.00 0.00 C ATOM 591 CG PHE A 38 -15.694 -7.872 -0.516 1.00 0.00 C ATOM 592 CD1 PHE A 38 -14.666 -8.781 -0.342 1.00 0.00 C ATOM 593 CD2 PHE A 38 -15.775 -6.784 0.330 1.00 0.00 C ATOM 594 CE1 PHE A 38 -13.734 -8.606 0.662 1.00 0.00 C ATOM 595 CE2 PHE A 38 -14.848 -6.600 1.334 1.00 0.00 C ATOM 596 CZ PHE A 38 -13.826 -7.514 1.501 1.00 0.00 C ATOM 0 H PHE A 38 -16.637 -5.644 -2.199 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.268 -7.970 -3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -17.632 -7.566 -1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.938 -9.134 -1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -14.591 -9.636 -0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -16.574 -6.068 0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -12.935 -9.322 0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -14.921 -5.744 1.988 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.099 -7.374 2.288 1.00 0.00 H new ATOM 606 N GLY A 39 -18.182 -7.155 -4.357 1.00 0.00 N ATOM 607 CA GLY A 39 -19.178 -7.491 -5.354 1.00 0.00 C ATOM 608 C GLY A 39 -18.680 -7.247 -6.763 1.00 0.00 C ATOM 609 O GLY A 39 -19.432 -6.800 -7.628 1.00 0.00 O ATOM 0 H GLY A 39 -18.283 -6.226 -3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.459 -8.539 -5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -20.077 -6.900 -5.181 1.00 0.00 H new ATOM 613 N SER A 40 -17.407 -7.531 -6.990 1.00 0.00 N ATOM 614 CA SER A 40 -16.805 -7.363 -8.297 1.00 0.00 C ATOM 615 C SER A 40 -15.769 -8.460 -8.522 1.00 0.00 C ATOM 616 O SER A 40 -16.069 -9.419 -9.262 1.00 0.00 O ATOM 617 CB SER A 40 -16.163 -5.975 -8.417 1.00 0.00 C ATOM 618 OG SER A 40 -15.898 -5.642 -9.772 1.00 0.00 O ATOM 619 OXT SER A 40 -14.675 -8.383 -7.927 1.00 0.00 O ATOM 0 H SER A 40 -16.768 -7.882 -6.276 1.00 0.00 H new ATOM 0 HA SER A 40 -17.577 -7.442 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.825 -5.227 -7.980 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.234 -5.951 -7.847 1.00 0.00 H new ATOM 0 HG SER A 40 -15.491 -4.752 -9.816 1.00 0.00 H new TER 625 SER A 40 ATOM 626 N MET B 41 -4.366 14.503 15.497 1.00 0.00 N ATOM 627 CA MET B 41 -3.045 13.878 15.273 1.00 0.00 C ATOM 628 C MET B 41 -3.181 12.370 15.199 1.00 0.00 C ATOM 629 O MET B 41 -4.010 11.777 15.891 1.00 0.00 O ATOM 630 CB MET B 41 -2.071 14.253 16.394 1.00 0.00 C ATOM 631 CG MET B 41 -1.556 15.678 16.306 1.00 0.00 C ATOM 632 SD MET B 41 -0.574 15.972 14.821 1.00 0.00 S ATOM 633 CE MET B 41 0.780 14.823 15.066 1.00 0.00 C ATOM 0 HA MET B 41 -2.651 14.249 14.327 1.00 0.00 H new ATOM 0 HB2 MET B 41 -2.567 14.114 17.355 1.00 0.00 H new ATOM 0 HB3 MET B 41 -1.223 13.568 16.371 1.00 0.00 H new ATOM 0 HG2 MET B 41 -2.401 16.367 16.321 1.00 0.00 H new ATOM 0 HG3 MET B 41 -0.951 15.897 17.186 1.00 0.00 H new ATOM 0 HE1 MET B 41 1.621 15.112 14.435 1.00 0.00 H new ATOM 0 HE2 MET B 41 1.088 14.841 16.112 1.00 0.00 H new ATOM 0 HE3 MET B 41 0.456 13.817 14.800 1.00 0.00 H new ATOM 645 N ASN B 42 -2.374 11.754 14.353 1.00 0.00 N ATOM 646 CA ASN B 42 -2.393 10.311 14.195 1.00 0.00 C ATOM 647 C ASN B 42 -0.989 9.749 14.344 1.00 0.00 C ATOM 648 O ASN B 42 -0.087 10.437 14.826 1.00 0.00 O ATOM 649 CB ASN B 42 -2.990 9.916 12.843 1.00 0.00 C ATOM 650 CG ASN B 42 -4.395 10.452 12.657 1.00 0.00 C ATOM 651 OD1 ASN B 42 -4.592 11.533 12.108 1.00 0.00 O ATOM 652 ND2 ASN B 42 -5.380 9.711 13.134 1.00 0.00 N ATOM 0 H ASN B 42 -1.694 12.234 13.763 1.00 0.00 H new ATOM 0 HA ASN B 42 -3.024 9.888 14.977 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -2.352 10.291 12.043 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.004 8.829 12.758 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -6.345 10.032 13.053 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -5.175 8.819 13.583 1.00 0.00 H new ATOM 659 N LYS B 43 -0.810 8.506 13.935 1.00 0.00 N ATOM 660 CA LYS B 43 0.452 7.798 14.142 1.00 0.00 C ATOM 661 C LYS B 43 1.551 8.329 13.227 1.00 0.00 C ATOM 662 O LYS B 43 1.359 9.287 12.475 1.00 0.00 O ATOM 663 CB LYS B 43 0.285 6.293 13.890 1.00 0.00 C ATOM 664 CG LYS B 43 -1.052 5.733 14.335 1.00 0.00 C ATOM 665 CD LYS B 43 -1.375 6.159 15.746 1.00 0.00 C ATOM 666 CE LYS B 43 -2.796 5.792 16.131 1.00 0.00 C ATOM 667 NZ LYS B 43 -3.137 6.241 17.508 1.00 0.00 N1+ ATOM 0 H LYS B 43 -1.524 7.959 13.454 1.00 0.00 H new ATOM 0 HA LYS B 43 0.740 7.968 15.179 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.412 6.098 12.825 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.081 5.759 14.409 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -1.836 6.075 13.660 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -1.032 4.645 14.276 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -0.677 5.687 16.438 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -1.239 7.236 15.841 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -3.491 6.241 15.421 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -2.923 4.712 16.061 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.116 5.970 17.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -2.491 5.793 18.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -3.042 7.275 17.570 1.00 0.00 H new ATOM 681 N THR B 44 2.699 7.685 13.302 1.00 0.00 N ATOM 682 CA THR B 44 3.841 8.024 12.472 1.00 0.00 C ATOM 683 C THR B 44 4.494 6.746 11.964 1.00 0.00 C ATOM 684 O THR B 44 4.266 5.675 12.526 1.00 0.00 O ATOM 685 CB THR B 44 4.869 8.856 13.258 1.00 0.00 C ATOM 686 OG1 THR B 44 4.513 8.891 14.649 1.00 0.00 O ATOM 687 CG2 THR B 44 4.952 10.273 12.715 1.00 0.00 C ATOM 0 H THR B 44 2.868 6.909 13.942 1.00 0.00 H new ATOM 0 HA THR B 44 3.492 8.622 11.630 1.00 0.00 H new ATOM 0 HB THR B 44 5.845 8.385 13.144 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.173 9.421 15.142 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.686 10.840 13.288 1.00 0.00 H new ATOM 0 HG22 THR B 44 5.253 10.244 11.668 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.977 10.753 12.799 1.00 0.00 H new ATOM 695 N LEU B 45 5.294 6.849 10.912 1.00 0.00 N ATOM 696 CA LEU B 45 5.917 5.667 10.330 1.00 0.00 C ATOM 697 C LEU B 45 7.039 5.139 11.208 1.00 0.00 C ATOM 698 O LEU B 45 7.415 5.762 12.205 1.00 0.00 O ATOM 699 CB LEU B 45 6.444 5.943 8.923 1.00 0.00 C ATOM 700 CG LEU B 45 5.369 6.163 7.861 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.978 6.154 6.474 1.00 0.00 C ATOM 702 CD2 LEU B 45 4.297 5.101 7.969 1.00 0.00 C ATOM 0 H LEU B 45 5.526 7.727 10.448 1.00 0.00 H new ATOM 0 HA LEU B 45 5.141 4.905 10.264 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.084 6.824 8.958 1.00 0.00 H new ATOM 0 HB3 LEU B 45 7.071 5.106 8.616 1.00 0.00 H new ATOM 0 HG LEU B 45 4.914 7.139 8.031 1.00 0.00 H new ATOM 0 HD11 LEU B 45 5.195 6.312 5.732 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.718 6.950 6.396 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.459 5.193 6.294 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.538 5.271 7.206 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.743 4.117 7.824 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.836 5.148 8.956 1.00 0.00 H new ATOM 714 N LYS B 46 7.576 3.997 10.822 1.00 0.00 N ATOM 715 CA LYS B 46 8.589 3.325 11.611 1.00 0.00 C ATOM 716 C LYS B 46 9.965 3.795 11.174 1.00 0.00 C ATOM 717 O LYS B 46 10.801 4.176 11.991 1.00 0.00 O ATOM 718 CB LYS B 46 8.482 1.808 11.430 1.00 0.00 C ATOM 719 CG LYS B 46 7.054 1.276 11.434 1.00 0.00 C ATOM 720 CD LYS B 46 6.328 1.552 12.739 1.00 0.00 C ATOM 721 CE LYS B 46 7.027 0.900 13.923 1.00 0.00 C ATOM 722 NZ LYS B 46 7.211 -0.562 13.727 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.325 3.513 9.960 1.00 0.00 H new ATOM 0 HA LYS B 46 8.437 3.566 12.663 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.958 1.532 10.489 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.042 1.318 12.227 1.00 0.00 H new ATOM 0 HG2 LYS B 46 6.500 1.729 10.612 1.00 0.00 H new ATOM 0 HG3 LYS B 46 7.071 0.201 11.253 1.00 0.00 H new ATOM 0 HD2 LYS B 46 6.267 2.628 12.900 1.00 0.00 H new ATOM 0 HD3 LYS B 46 5.305 1.181 12.671 1.00 0.00 H new ATOM 0 HE2 LYS B 46 7.999 1.370 14.074 1.00 0.00 H new ATOM 0 HE3 LYS B 46 6.445 1.074 14.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.265 -1.032 14.653 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 6.406 -0.944 13.191 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 8.091 -0.734 13.199 1.00 0.00 H new ATOM 736 N THR B 47 10.178 3.771 9.871 1.00 0.00 N ATOM 737 CA THR B 47 11.430 4.208 9.287 1.00 0.00 C ATOM 738 C THR B 47 11.360 5.689 8.938 1.00 0.00 C ATOM 739 O THR B 47 10.424 6.137 8.284 1.00 0.00 O ATOM 740 CB THR B 47 11.744 3.404 8.015 1.00 0.00 C ATOM 741 OG1 THR B 47 11.755 2.002 8.314 1.00 0.00 O ATOM 742 CG2 THR B 47 13.081 3.820 7.429 1.00 0.00 C ATOM 0 H THR B 47 9.490 3.449 9.191 1.00 0.00 H new ATOM 0 HA THR B 47 12.220 4.043 10.019 1.00 0.00 H new ATOM 0 HB THR B 47 10.968 3.609 7.278 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.834 1.681 8.409 1.00 0.00 H new ATOM 0 HG21 THR B 47 13.281 3.237 6.530 1.00 0.00 H new ATOM 0 HG22 THR B 47 13.053 4.880 7.176 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.870 3.642 8.160 1.00 0.00 H new ATOM 750 N LYS B 48 12.361 6.446 9.371 1.00 0.00 N ATOM 751 CA LYS B 48 12.400 7.882 9.127 1.00 0.00 C ATOM 752 C LYS B 48 12.603 8.173 7.644 1.00 0.00 C ATOM 753 O LYS B 48 12.097 9.167 7.126 1.00 0.00 O ATOM 754 CB LYS B 48 13.507 8.524 9.961 1.00 0.00 C ATOM 755 CG LYS B 48 13.579 10.043 9.846 1.00 0.00 C ATOM 756 CD LYS B 48 12.242 10.719 10.133 1.00 0.00 C ATOM 757 CE LYS B 48 11.724 10.401 11.527 1.00 0.00 C ATOM 758 NZ LYS B 48 10.491 11.172 11.845 1.00 0.00 N1+ ATOM 0 H LYS B 48 13.159 6.087 9.895 1.00 0.00 H new ATOM 0 HA LYS B 48 11.444 8.313 9.425 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.359 8.257 11.007 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.465 8.103 9.657 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.329 10.421 10.541 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.910 10.312 8.843 1.00 0.00 H new ATOM 0 HD2 LYS B 48 12.352 11.798 10.026 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.509 10.398 9.393 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.516 9.334 11.603 1.00 0.00 H new ATOM 0 HE3 LYS B 48 12.495 10.629 12.263 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 10.196 10.968 12.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 10.683 12.189 11.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.732 10.898 11.189 1.00 0.00 H new ATOM 772 N ALA B 49 13.324 7.289 6.965 1.00 0.00 N ATOM 773 CA ALA B 49 13.531 7.403 5.524 1.00 0.00 C ATOM 774 C ALA B 49 12.224 7.183 4.763 1.00 0.00 C ATOM 775 O ALA B 49 12.160 7.365 3.549 1.00 0.00 O ATOM 776 CB ALA B 49 14.582 6.407 5.064 1.00 0.00 C ATOM 0 H ALA B 49 13.778 6.481 7.391 1.00 0.00 H new ATOM 0 HA ALA B 49 13.882 8.412 5.310 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.727 6.502 3.988 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.523 6.608 5.576 1.00 0.00 H new ATOM 0 HB3 ALA B 49 14.251 5.395 5.297 1.00 0.00 H new ATOM 782 N PHE B 50 11.198 6.758 5.487 1.00 0.00 N ATOM 783 CA PHE B 50 9.862 6.596 4.932 1.00 0.00 C ATOM 784 C PHE B 50 8.930 7.656 5.508 1.00 0.00 C ATOM 785 O PHE B 50 8.130 8.258 4.790 1.00 0.00 O ATOM 786 CB PHE B 50 9.321 5.200 5.252 1.00 0.00 C ATOM 787 CG PHE B 50 9.796 4.119 4.323 1.00 0.00 C ATOM 788 CD1 PHE B 50 11.128 4.018 3.964 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.900 3.194 3.818 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.559 3.016 3.116 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.322 2.190 2.968 1.00 0.00 C ATOM 792 CZ PHE B 50 10.653 2.101 2.617 1.00 0.00 C ATOM 0 H PHE B 50 11.269 6.516 6.475 1.00 0.00 H new ATOM 0 HA PHE B 50 9.915 6.714 3.850 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.608 4.938 6.270 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.232 5.232 5.225 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.840 4.731 4.352 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.857 3.257 4.092 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.602 2.948 2.844 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.611 1.476 2.579 1.00 0.00 H new ATOM 0 HZ PHE B 50 10.986 1.317 1.953 1.00 0.00 H new ATOM 802 N ASP B 51 9.061 7.881 6.813 1.00 0.00 N ATOM 803 CA ASP B 51 8.237 8.850 7.537 1.00 0.00 C ATOM 804 C ASP B 51 8.374 10.237 6.937 1.00 0.00 C ATOM 805 O ASP B 51 7.406 10.995 6.874 1.00 0.00 O ATOM 806 CB ASP B 51 8.641 8.897 9.013 1.00 0.00 C ATOM 807 CG ASP B 51 7.808 9.881 9.815 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.612 9.607 10.045 1.00 0.00 O ATOM 809 OD2 ASP B 51 8.359 10.922 10.239 1.00 0.00 O1- ATOM 0 H ASP B 51 9.741 7.398 7.400 1.00 0.00 H new ATOM 0 HA ASP B 51 7.198 8.530 7.453 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.538 7.902 9.446 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.693 9.171 9.089 1.00 0.00 H new ATOM 814 N ASP B 52 9.584 10.553 6.486 1.00 0.00 N ATOM 815 CA ASP B 52 9.878 11.854 5.898 1.00 0.00 C ATOM 816 C ASP B 52 8.902 12.170 4.772 1.00 0.00 C ATOM 817 O ASP B 52 8.328 13.253 4.721 1.00 0.00 O ATOM 818 CB ASP B 52 11.316 11.885 5.375 1.00 0.00 C ATOM 819 CG ASP B 52 11.772 13.282 5.007 1.00 0.00 C ATOM 820 OD1 ASP B 52 12.111 14.060 5.924 1.00 0.00 O ATOM 821 OD2 ASP B 52 11.816 13.606 3.805 1.00 0.00 O1- ATOM 0 H ASP B 52 10.383 9.919 6.518 1.00 0.00 H new ATOM 0 HA ASP B 52 9.767 12.613 6.672 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.984 11.477 6.134 1.00 0.00 H new ATOM 0 HB3 ASP B 52 11.395 11.239 4.501 1.00 0.00 H new ATOM 826 N ILE B 53 8.681 11.199 3.898 1.00 0.00 N ATOM 827 CA ILE B 53 7.771 11.375 2.777 1.00 0.00 C ATOM 828 C ILE B 53 6.326 11.444 3.260 1.00 0.00 C ATOM 829 O ILE B 53 5.554 12.282 2.805 1.00 0.00 O ATOM 830 CB ILE B 53 7.901 10.238 1.745 1.00 0.00 C ATOM 831 CG1 ILE B 53 9.336 10.135 1.225 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.933 10.441 0.589 1.00 0.00 C ATOM 833 CD1 ILE B 53 10.163 9.088 1.930 1.00 0.00 C ATOM 0 H ILE B 53 9.121 10.280 3.944 1.00 0.00 H new ATOM 0 HA ILE B 53 8.045 12.314 2.295 1.00 0.00 H new ATOM 0 HB ILE B 53 7.648 9.303 2.245 1.00 0.00 H new ATOM 0 HG12 ILE B 53 9.311 9.909 0.159 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.823 11.104 1.334 1.00 0.00 H new ATOM 0 HG21 ILE B 53 7.044 9.626 -0.126 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.911 10.455 0.968 1.00 0.00 H new ATOM 0 HG23 ILE B 53 7.149 11.388 0.095 1.00 0.00 H new ATOM 0 HD11 ILE B 53 11.168 9.073 1.508 1.00 0.00 H new ATOM 0 HD12 ILE B 53 10.219 9.324 2.993 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.700 8.110 1.799 1.00 0.00 H new ATOM 845 N TYR B 54 5.978 10.575 4.206 1.00 0.00 N ATOM 846 CA TYR B 54 4.617 10.517 4.733 1.00 0.00 C ATOM 847 C TYR B 54 4.198 11.866 5.319 1.00 0.00 C ATOM 848 O TYR B 54 3.025 12.239 5.271 1.00 0.00 O ATOM 849 CB TYR B 54 4.507 9.421 5.799 1.00 0.00 C ATOM 850 CG TYR B 54 3.095 9.175 6.283 1.00 0.00 C ATOM 851 CD1 TYR B 54 2.116 8.709 5.413 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.739 9.402 7.608 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.825 8.478 5.847 1.00 0.00 C ATOM 854 CE2 TYR B 54 1.449 9.172 8.050 1.00 0.00 C ATOM 855 CZ TYR B 54 0.496 8.711 7.164 1.00 0.00 C ATOM 856 OH TYR B 54 -0.791 8.480 7.599 1.00 0.00 O ATOM 0 H TYR B 54 6.620 9.901 4.623 1.00 0.00 H new ATOM 0 HA TYR B 54 3.944 10.280 3.909 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.908 8.492 5.394 1.00 0.00 H new ATOM 0 HB3 TYR B 54 5.130 9.693 6.651 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.369 8.524 4.379 1.00 0.00 H new ATOM 0 HD2 TYR B 54 3.482 9.764 8.303 1.00 0.00 H new ATOM 0 HE1 TYR B 54 0.077 8.116 5.157 1.00 0.00 H new ATOM 0 HE2 TYR B 54 1.189 9.352 9.083 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.190 7.758 7.070 1.00 0.00 H new ATOM 866 N GLN B 55 5.164 12.601 5.857 1.00 0.00 N ATOM 867 CA GLN B 55 4.891 13.906 6.444 1.00 0.00 C ATOM 868 C GLN B 55 5.002 15.012 5.395 1.00 0.00 C ATOM 869 O GLN B 55 4.489 16.115 5.585 1.00 0.00 O ATOM 870 CB GLN B 55 5.862 14.191 7.594 1.00 0.00 C ATOM 871 CG GLN B 55 5.937 13.082 8.635 1.00 0.00 C ATOM 872 CD GLN B 55 4.593 12.742 9.250 1.00 0.00 C ATOM 873 OE1 GLN B 55 3.703 13.589 9.348 1.00 0.00 O ATOM 874 NE2 GLN B 55 4.445 11.501 9.685 1.00 0.00 N ATOM 0 H GLN B 55 6.142 12.315 5.899 1.00 0.00 H new ATOM 0 HA GLN B 55 3.872 13.890 6.830 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.858 14.356 7.182 1.00 0.00 H new ATOM 0 HB3 GLN B 55 5.564 15.117 8.086 1.00 0.00 H new ATOM 0 HG2 GLN B 55 6.354 12.187 8.173 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.625 13.382 9.426 1.00 0.00 H new ATOM 0 HE21 GLN B 55 5.207 10.831 9.584 1.00 0.00 H new ATOM 0 HE22 GLN B 55 3.569 11.215 10.121 1.00 0.00 H new ATOM 883 N ASN B 56 5.669 14.711 4.288 1.00 0.00 N ATOM 884 CA ASN B 56 5.916 15.700 3.238 1.00 0.00 C ATOM 885 C ASN B 56 5.149 15.378 1.957 1.00 0.00 C ATOM 886 O ASN B 56 5.614 15.673 0.855 1.00 0.00 O ATOM 887 CB ASN B 56 7.412 15.783 2.929 1.00 0.00 C ATOM 888 CG ASN B 56 8.178 16.563 3.979 1.00 0.00 C ATOM 889 OD1 ASN B 56 8.339 17.779 3.874 1.00 0.00 O ATOM 890 ND2 ASN B 56 8.658 15.872 4.998 1.00 0.00 N ATOM 0 H ASN B 56 6.052 13.786 4.091 1.00 0.00 H new ATOM 0 HA ASN B 56 5.562 16.661 3.611 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.822 14.775 2.858 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.553 16.254 1.956 1.00 0.00 H new ATOM 0 HD21 ASN B 56 9.183 16.346 5.733 1.00 0.00 H new ATOM 0 HD22 ASN B 56 8.503 14.865 5.049 1.00 0.00 H new ATOM 897 N SER B 57 3.983 14.768 2.096 1.00 0.00 N ATOM 898 CA SER B 57 3.149 14.459 0.944 1.00 0.00 C ATOM 899 C SER B 57 1.666 14.549 1.296 1.00 0.00 C ATOM 900 O SER B 57 1.024 13.549 1.622 1.00 0.00 O ATOM 901 CB SER B 57 3.489 13.072 0.393 1.00 0.00 C ATOM 902 OG SER B 57 4.824 13.032 -0.080 1.00 0.00 O ATOM 0 H SER B 57 3.593 14.477 2.992 1.00 0.00 H new ATOM 0 HA SER B 57 3.355 15.200 0.171 1.00 0.00 H new ATOM 0 HB2 SER B 57 3.352 12.322 1.172 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.804 12.819 -0.416 1.00 0.00 H new ATOM 0 HG SER B 57 5.423 12.780 0.653 1.00 0.00 H new ATOM 908 N ALA B 58 1.129 15.759 1.213 1.00 0.00 N ATOM 909 CA ALA B 58 -0.275 16.006 1.518 1.00 0.00 C ATOM 910 C ALA B 58 -1.177 15.412 0.442 1.00 0.00 C ATOM 911 O ALA B 58 -2.290 14.968 0.725 1.00 0.00 O ATOM 912 CB ALA B 58 -0.527 17.499 1.659 1.00 0.00 C ATOM 0 H ALA B 58 1.649 16.591 0.935 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.512 15.520 2.464 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.579 17.671 1.887 1.00 0.00 H new ATOM 0 HB2 ALA B 58 0.088 17.897 2.466 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.271 18.001 0.726 1.00 0.00 H new ATOM 918 N GLU B 59 -0.679 15.386 -0.791 1.00 0.00 N ATOM 919 CA GLU B 59 -1.436 14.840 -1.914 1.00 0.00 C ATOM 920 C GLU B 59 -1.490 13.318 -1.828 1.00 0.00 C ATOM 921 O GLU B 59 -2.338 12.675 -2.444 1.00 0.00 O ATOM 922 CB GLU B 59 -0.831 15.299 -3.245 1.00 0.00 C ATOM 923 CG GLU B 59 0.671 15.098 -3.347 1.00 0.00 C ATOM 924 CD GLU B 59 1.257 15.740 -4.587 1.00 0.00 C ATOM 925 OE1 GLU B 59 1.343 16.986 -4.629 1.00 0.00 O ATOM 926 OE2 GLU B 59 1.647 15.009 -5.522 1.00 0.00 O1- ATOM 0 H GLU B 59 0.246 15.737 -1.038 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.457 15.217 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -1.315 14.757 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.056 16.356 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU B 59 1.152 15.517 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.892 14.031 -3.355 1.00 0.00 H new ATOM 933 N LEU B 60 -0.568 12.754 -1.063 1.00 0.00 N ATOM 934 CA LEU B 60 -0.580 11.330 -0.772 1.00 0.00 C ATOM 935 C LEU B 60 -1.508 11.043 0.400 1.00 0.00 C ATOM 936 O LEU B 60 -2.297 10.101 0.370 1.00 0.00 O ATOM 937 CB LEU B 60 0.818 10.844 -0.420 1.00 0.00 C ATOM 938 CG LEU B 60 0.896 9.363 -0.071 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.126 8.535 -1.319 1.00 0.00 C ATOM 940 CD2 LEU B 60 1.972 9.116 0.967 1.00 0.00 C ATOM 0 H LEU B 60 0.202 13.265 -0.631 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.932 10.807 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.482 11.043 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.190 11.425 0.424 1.00 0.00 H new ATOM 0 HG LEU B 60 -0.056 9.055 0.361 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.179 7.480 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU B 60 0.303 8.691 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU B 60 2.062 8.837 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU B 60 2.012 8.053 1.203 1.00 0.00 H new ATOM 0 HD22 LEU B 60 2.937 9.437 0.575 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.742 9.680 1.871 1.00 0.00 H new ATOM 952 N GLN B 61 -1.397 11.877 1.431 1.00 0.00 N ATOM 953 CA GLN B 61 -2.158 11.719 2.659 1.00 0.00 C ATOM 954 C GLN B 61 -3.655 11.696 2.377 1.00 0.00 C ATOM 955 O GLN B 61 -4.422 11.041 3.084 1.00 0.00 O ATOM 956 CB GLN B 61 -1.821 12.864 3.622 1.00 0.00 C ATOM 957 CG GLN B 61 -2.510 12.747 4.968 1.00 0.00 C ATOM 958 CD GLN B 61 -2.060 11.528 5.740 1.00 0.00 C ATOM 959 OE1 GLN B 61 -1.146 11.599 6.562 1.00 0.00 O ATOM 960 NE2 GLN B 61 -2.661 10.391 5.440 1.00 0.00 N ATOM 0 H GLN B 61 -0.773 12.684 1.434 1.00 0.00 H new ATOM 0 HA GLN B 61 -1.887 10.767 3.115 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -0.742 12.892 3.776 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -2.102 13.811 3.160 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.307 13.642 5.556 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.589 12.702 4.819 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -3.414 10.378 4.752 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.372 9.526 5.896 1.00 0.00 H new ATOM 969 N GLU B 62 -4.055 12.385 1.320 1.00 0.00 N ATOM 970 CA GLU B 62 -5.464 12.514 0.986 1.00 0.00 C ATOM 971 C GLU B 62 -5.991 11.227 0.361 1.00 0.00 C ATOM 972 O GLU B 62 -7.190 10.958 0.384 1.00 0.00 O ATOM 973 CB GLU B 62 -5.683 13.694 0.040 1.00 0.00 C ATOM 974 CG GLU B 62 -5.101 13.493 -1.348 1.00 0.00 C ATOM 975 CD GLU B 62 -5.419 14.642 -2.279 1.00 0.00 C ATOM 976 OE1 GLU B 62 -4.674 15.645 -2.274 1.00 0.00 O ATOM 977 OE2 GLU B 62 -6.420 14.550 -3.018 1.00 0.00 O1- ATOM 0 H GLU B 62 -3.423 12.864 0.678 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.017 12.699 1.907 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.753 13.880 -0.050 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.241 14.587 0.482 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.020 13.379 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.490 12.567 -1.772 1.00 0.00 H new ATOM 984 N LEU B 63 -5.084 10.422 -0.174 1.00 0.00 N ATOM 985 CA LEU B 63 -5.459 9.166 -0.803 1.00 0.00 C ATOM 986 C LEU B 63 -5.786 8.129 0.262 1.00 0.00 C ATOM 987 O LEU B 63 -6.617 7.247 0.057 1.00 0.00 O ATOM 988 CB LEU B 63 -4.332 8.673 -1.710 1.00 0.00 C ATOM 989 CG LEU B 63 -3.964 9.633 -2.843 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.669 9.205 -3.505 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.083 9.707 -3.869 1.00 0.00 C ATOM 0 H LEU B 63 -4.083 10.617 -0.184 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.346 9.325 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.446 8.492 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.623 7.715 -2.142 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.823 10.626 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.424 9.900 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -1.866 9.205 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.785 8.202 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.801 10.395 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.257 8.717 -4.289 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -5.994 10.063 -3.388 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.148 8.268 1.417 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.410 7.386 2.547 1.00 0.00 C ATOM 1005 C LEU B 64 -6.682 7.802 3.281 1.00 0.00 C ATOM 1006 O LEU B 64 -7.047 7.210 4.295 1.00 0.00 O ATOM 1007 CB LEU B 64 -4.222 7.372 3.510 1.00 0.00 C ATOM 1008 CG LEU B 64 -2.986 6.620 3.009 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -1.809 6.858 3.940 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.278 5.130 2.897 1.00 0.00 C ATOM 0 H LEU B 64 -4.444 8.984 1.596 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.553 6.378 2.158 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.938 8.402 3.726 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.543 6.925 4.451 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.730 6.998 2.019 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -0.938 6.317 3.571 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.585 7.924 3.978 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -2.059 6.504 4.940 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.389 4.611 2.540 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.557 4.739 3.875 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.097 4.971 2.196 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.351 8.827 2.768 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.635 9.243 3.312 1.00 0.00 C ATOM 1024 C LYS B 65 -9.756 8.419 2.695 1.00 0.00 C ATOM 1025 O LYS B 65 -10.865 8.358 3.227 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.883 10.729 3.050 1.00 0.00 C ATOM 1027 CG LYS B 65 -7.966 11.657 3.828 1.00 0.00 C ATOM 1028 CD LYS B 65 -8.299 13.115 3.553 1.00 0.00 C ATOM 1029 CE LYS B 65 -7.538 14.049 4.479 1.00 0.00 C ATOM 1030 NZ LYS B 65 -7.890 13.821 5.905 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.026 9.384 1.978 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.616 9.079 4.389 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -8.761 10.924 1.985 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.917 10.964 3.301 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -8.059 11.455 4.895 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -6.929 11.460 3.556 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -8.059 13.354 2.517 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -9.370 13.273 3.676 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -6.467 13.903 4.341 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -7.756 15.083 4.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -7.619 14.653 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -8.915 13.665 5.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -7.383 12.985 6.258 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.457 7.784 1.569 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.438 6.973 0.868 1.00 0.00 C ATOM 1046 C TYR B 66 -10.354 5.522 1.326 1.00 0.00 C ATOM 1047 O TYR B 66 -9.277 4.921 1.354 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.219 7.052 -0.643 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.323 8.448 -1.216 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.557 9.065 -1.379 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.186 9.145 -1.598 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.652 10.339 -1.907 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.272 10.418 -2.128 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.506 11.011 -2.280 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.595 12.280 -2.812 1.00 0.00 O ATOM 0 H TYR B 66 -8.540 7.817 1.123 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.429 7.362 1.101 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.234 6.649 -0.877 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -10.951 6.413 -1.138 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.456 8.541 -1.089 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.216 8.684 -1.479 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.618 10.806 -2.027 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.376 10.945 -2.422 1.00 0.00 H new ATOM 0 HH TYR B 66 -9.696 12.611 -3.020 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.504 4.963 1.676 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.586 3.597 2.184 1.00 0.00 C ATOM 1067 C ASN B 67 -11.369 2.573 1.077 1.00 0.00 C ATOM 1068 O ASN B 67 -10.964 1.443 1.342 1.00 0.00 O ATOM 1069 CB ASN B 67 -12.941 3.362 2.853 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.069 4.091 4.173 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -12.082 4.289 4.880 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.280 4.493 4.517 1.00 0.00 N ATOM 0 H ASN B 67 -12.404 5.440 1.617 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.792 3.470 2.920 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.735 3.689 2.182 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -13.082 2.294 3.016 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.422 4.988 5.398 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.072 4.309 3.902 1.00 0.00 H new ATOM 1079 N THR B 68 -11.618 2.980 -0.160 1.00 0.00 N ATOM 1080 CA THR B 68 -11.447 2.100 -1.308 1.00 0.00 C ATOM 1081 C THR B 68 -9.963 1.873 -1.563 1.00 0.00 C ATOM 1082 O THR B 68 -9.535 0.806 -2.017 1.00 0.00 O ATOM 1083 CB THR B 68 -12.113 2.712 -2.561 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.521 2.867 -2.334 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.885 1.853 -3.798 1.00 0.00 C ATOM 0 H THR B 68 -11.941 3.919 -0.395 1.00 0.00 H new ATOM 0 HA THR B 68 -11.926 1.144 -1.095 1.00 0.00 H new ATOM 0 HB THR B 68 -11.655 3.685 -2.740 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.940 3.257 -3.130 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.369 2.317 -4.657 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.815 1.765 -3.988 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.308 0.862 -3.635 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.188 2.887 -1.226 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.748 2.854 -1.385 1.00 0.00 C ATOM 1095 C VAL B 69 -7.121 1.972 -0.319 1.00 0.00 C ATOM 1096 O VAL B 69 -6.467 0.973 -0.627 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.180 4.277 -1.279 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -5.676 4.286 -1.470 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.855 5.177 -2.291 1.00 0.00 C ATOM 0 H VAL B 69 -9.542 3.759 -0.833 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.513 2.443 -2.367 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.384 4.655 -0.277 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.305 5.308 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.208 3.668 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.432 3.888 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.448 6.185 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.677 4.793 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -8.927 5.203 -2.097 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.353 2.345 0.933 1.00 0.00 N ATOM 1110 CA LYS B 70 -6.830 1.602 2.080 1.00 0.00 C ATOM 1111 C LYS B 70 -7.225 0.125 2.024 1.00 0.00 C ATOM 1112 O LYS B 70 -6.442 -0.741 2.410 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.320 2.216 3.394 1.00 0.00 C ATOM 1114 CG LYS B 70 -6.804 3.625 3.640 1.00 0.00 C ATOM 1115 CD LYS B 70 -7.183 4.136 5.024 1.00 0.00 C ATOM 1116 CE LYS B 70 -8.689 4.281 5.184 1.00 0.00 C ATOM 1117 NZ LYS B 70 -9.054 4.836 6.514 1.00 0.00 N1+ ATOM 0 H LYS B 70 -7.905 3.165 1.185 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.743 1.668 2.036 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.410 2.233 3.393 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -7.012 1.576 4.221 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -5.719 3.638 3.533 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -7.207 4.297 2.882 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -6.802 3.450 5.781 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -6.705 5.100 5.198 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -9.076 4.932 4.400 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -9.163 3.308 5.054 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -10.088 4.919 6.583 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.707 4.202 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -8.623 5.775 6.628 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.433 -0.154 1.536 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.906 -1.530 1.396 1.00 0.00 C ATOM 1133 C PHE B 71 -7.940 -2.358 0.559 1.00 0.00 C ATOM 1134 O PHE B 71 -7.498 -3.428 0.972 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.296 -1.555 0.748 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.716 -2.920 0.266 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.136 -3.888 1.160 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.684 -3.231 -1.085 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.518 -5.140 0.719 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.065 -4.482 -1.532 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.483 -5.437 -0.628 1.00 0.00 C ATOM 0 H PHE B 71 -9.101 0.554 1.231 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.965 -1.964 2.394 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -11.029 -1.192 1.468 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.307 -0.863 -0.094 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -11.166 -3.662 2.216 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.357 -2.487 -1.796 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.844 -5.886 1.428 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.036 -4.712 -2.587 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.782 -6.415 -0.974 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.614 -1.843 -0.613 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.780 -2.567 -1.557 1.00 0.00 C ATOM 1153 C HIS B 72 -5.331 -2.608 -1.094 1.00 0.00 C ATOM 1154 O HIS B 72 -4.605 -3.556 -1.383 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.888 -1.936 -2.942 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.168 -2.267 -3.648 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.184 -1.358 -3.845 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.589 -3.423 -4.211 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.173 -1.941 -4.497 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.836 -3.193 -4.732 1.00 0.00 N ATOM 0 H HIS B 72 -7.915 -0.923 -0.935 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.137 -3.595 -1.611 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.803 -0.853 -2.848 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -6.048 -2.270 -3.552 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -9.174 -0.386 -3.535 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -8.044 -4.355 -4.244 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.101 -1.471 -4.788 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.923 -1.585 -0.359 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.571 -1.525 0.175 1.00 0.00 C ATOM 1171 C LEU B 73 -3.397 -2.515 1.323 1.00 0.00 C ATOM 1172 O LEU B 73 -2.346 -3.132 1.472 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.252 -0.108 0.651 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.240 0.965 -0.441 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.923 2.325 0.160 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.236 0.615 -1.529 1.00 0.00 C ATOM 0 H LEU B 73 -5.509 -0.785 -0.119 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.878 -1.796 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.983 0.176 1.408 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.277 -0.118 1.138 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.231 1.007 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.918 3.079 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.680 2.580 0.902 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.944 2.292 0.638 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.244 1.391 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.239 0.544 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.505 -0.341 -1.978 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.435 -2.676 2.129 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.387 -3.605 3.249 1.00 0.00 C ATOM 1190 C ALA B 74 -4.321 -5.039 2.761 1.00 0.00 C ATOM 1191 O ALA B 74 -3.717 -5.895 3.407 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.582 -3.407 4.157 1.00 0.00 C ATOM 0 H ALA B 74 -5.319 -2.177 2.030 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.482 -3.399 3.820 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.528 -4.110 4.988 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.580 -2.388 4.544 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.499 -3.580 3.594 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.933 -5.293 1.610 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.877 -6.606 0.989 1.00 0.00 C ATOM 1200 C LYS B 75 -3.433 -7.040 0.770 1.00 0.00 C ATOM 1201 O LYS B 75 -3.110 -8.221 0.894 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.624 -6.603 -0.349 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.120 -6.345 -0.228 1.00 0.00 C ATOM 1204 CD LYS B 75 -7.807 -7.383 0.647 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.655 -8.791 0.090 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.368 -8.967 -1.201 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.474 -4.603 1.089 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.359 -7.315 1.663 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.186 -5.842 -0.995 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.471 -7.564 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.284 -5.352 0.190 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.571 -6.351 -1.220 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -7.388 -7.344 1.652 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -8.866 -7.140 0.734 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -6.597 -9.012 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -8.038 -9.509 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.322 -9.965 -1.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.363 -8.685 -1.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -7.920 -8.375 -1.929 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.562 -6.081 0.465 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.167 -6.396 0.215 1.00 0.00 C ATOM 1222 C VAL B 76 -0.400 -6.477 1.532 1.00 0.00 C ATOM 1223 O VAL B 76 0.508 -7.288 1.676 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.490 -5.381 -0.748 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.451 -4.970 -1.851 1.00 0.00 C ATOM 1226 CG2 VAL B 76 0.043 -4.157 -0.017 1.00 0.00 C ATOM 0 H VAL B 76 -2.798 -5.092 0.387 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.140 -7.367 -0.279 1.00 0.00 H new ATOM 0 HB VAL B 76 0.367 -5.885 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -0.960 -4.259 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.751 -5.851 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.333 -4.505 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.506 -3.479 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.779 -3.647 0.486 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.783 -4.467 0.720 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.798 -5.659 2.506 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.153 -5.653 3.816 1.00 0.00 C ATOM 1238 C TYR B 77 -0.274 -7.022 4.476 1.00 0.00 C ATOM 1239 O TYR B 77 0.677 -7.522 5.081 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.767 -4.573 4.713 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.224 -4.571 6.127 1.00 0.00 C ATOM 1242 CD1 TYR B 77 1.139 -4.692 6.368 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.074 -4.459 7.220 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.639 -4.697 7.654 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.580 -4.462 8.512 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.779 -4.581 8.722 1.00 0.00 C ATOM 1247 OH TYR B 77 1.279 -4.584 10.003 1.00 0.00 O ATOM 0 H TYR B 77 -1.564 -4.992 2.411 1.00 0.00 H new ATOM 0 HA TYR B 77 0.904 -5.427 3.677 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.588 -3.596 4.264 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.847 -4.715 4.749 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.819 -4.784 5.534 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.138 -4.368 7.058 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.702 -4.792 7.822 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.254 -4.372 9.351 1.00 0.00 H new ATOM 0 HH TYR B 77 0.542 -4.493 10.642 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.446 -7.627 4.334 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.691 -8.964 4.864 1.00 0.00 C ATOM 1259 C ARG B 78 -0.738 -9.965 4.229 1.00 0.00 C ATOM 1260 O ARG B 78 -0.347 -10.957 4.844 1.00 0.00 O ATOM 1261 CB ARG B 78 -3.137 -9.365 4.608 1.00 0.00 C ATOM 1262 CG ARG B 78 -4.115 -8.367 5.187 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.550 -8.820 5.032 1.00 0.00 C ATOM 1264 NE ARG B 78 -6.480 -7.803 5.518 1.00 0.00 N ATOM 1265 CZ ARG B 78 -7.706 -7.612 5.038 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -8.198 -8.420 4.108 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -8.450 -6.622 5.513 1.00 0.00 N ATOM 0 H ARG B 78 -2.245 -7.212 3.855 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.515 -8.958 5.940 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.303 -9.454 3.534 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.323 -10.348 5.042 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.895 -8.216 6.244 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -3.984 -7.404 4.694 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -5.756 -9.033 3.983 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.702 -9.749 5.582 1.00 0.00 H new ATOM 0 HE ARG B 78 -6.168 -7.198 6.277 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.635 -9.194 3.756 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -9.139 -8.267 3.745 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -8.081 -6.012 6.243 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -9.391 -6.471 5.149 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.356 -9.675 2.996 1.00 0.00 N ATOM 1282 CA ILE B 79 0.609 -10.488 2.277 1.00 0.00 C ATOM 1283 C ILE B 79 2.013 -10.275 2.835 1.00 0.00 C ATOM 1284 O ILE B 79 2.718 -11.236 3.125 1.00 0.00 O ATOM 1285 CB ILE B 79 0.619 -10.160 0.772 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.775 -10.343 0.172 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.630 -11.035 0.047 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.862 -9.924 -1.278 1.00 0.00 C ATOM 0 H ILE B 79 -0.704 -8.874 2.469 1.00 0.00 H new ATOM 0 HA ILE B 79 0.310 -11.528 2.409 1.00 0.00 H new ATOM 0 HB ILE B 79 0.910 -9.117 0.648 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.066 -11.390 0.258 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.492 -9.764 0.754 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.626 -10.792 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.625 -10.857 0.456 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.365 -12.084 0.180 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.878 -10.080 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.602 -8.869 -1.368 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -0.169 -10.520 -1.871 1.00 0.00 H new ATOM 1300 N LEU B 80 2.408 -9.010 2.998 1.00 0.00 N ATOM 1301 CA LEU B 80 3.741 -8.683 3.514 1.00 0.00 C ATOM 1302 C LEU B 80 3.941 -9.205 4.932 1.00 0.00 C ATOM 1303 O LEU B 80 5.070 -9.273 5.419 1.00 0.00 O ATOM 1304 CB LEU B 80 4.012 -7.171 3.495 1.00 0.00 C ATOM 1305 CG LEU B 80 4.349 -6.552 2.130 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.029 -7.563 1.223 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.112 -5.970 1.475 1.00 0.00 C ATOM 0 H LEU B 80 1.828 -8.199 2.782 1.00 0.00 H new ATOM 0 HA LEU B 80 4.449 -9.176 2.848 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.134 -6.662 3.893 1.00 0.00 H new ATOM 0 HB3 LEU B 80 4.837 -6.964 4.177 1.00 0.00 H new ATOM 0 HG LEU B 80 5.051 -5.735 2.298 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.256 -7.097 0.264 1.00 0.00 H new ATOM 0 HD12 LEU B 80 5.954 -7.905 1.688 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.366 -8.414 1.065 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.380 -5.539 0.510 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.373 -6.758 1.328 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.692 -5.194 2.115 1.00 0.00 H new ATOM 1319 N SER B 81 2.853 -9.573 5.591 1.00 0.00 N ATOM 1320 CA SER B 81 2.940 -10.102 6.938 1.00 0.00 C ATOM 1321 C SER B 81 3.436 -11.548 6.905 1.00 0.00 C ATOM 1322 O SER B 81 4.414 -11.882 7.576 1.00 0.00 O ATOM 1323 CB SER B 81 1.573 -10.011 7.621 1.00 0.00 C ATOM 1324 OG SER B 81 1.065 -8.686 7.563 1.00 0.00 O ATOM 0 H SER B 81 1.906 -9.515 5.216 1.00 0.00 H new ATOM 0 HA SER B 81 3.654 -9.510 7.511 1.00 0.00 H new ATOM 0 HB2 SER B 81 0.874 -10.694 7.138 1.00 0.00 H new ATOM 0 HB3 SER B 81 1.660 -10.326 8.661 1.00 0.00 H new ATOM 0 HG SER B 81 0.922 -8.431 6.628 1.00 0.00 H new ATOM 1330 N SER B 82 2.792 -12.378 6.077 1.00 0.00 N ATOM 1331 CA SER B 82 3.173 -13.784 5.911 1.00 0.00 C ATOM 1332 C SER B 82 2.111 -14.529 5.103 1.00 0.00 C ATOM 1333 O SER B 82 0.929 -14.185 5.151 1.00 0.00 O ATOM 1334 CB SER B 82 3.341 -14.474 7.272 1.00 0.00 C ATOM 1335 OG SER B 82 3.809 -15.805 7.122 1.00 0.00 O ATOM 0 H SER B 82 1.996 -12.095 5.506 1.00 0.00 H new ATOM 0 HA SER B 82 4.125 -13.809 5.381 1.00 0.00 H new ATOM 0 HB2 SER B 82 4.041 -13.907 7.885 1.00 0.00 H new ATOM 0 HB3 SER B 82 2.387 -14.479 7.800 1.00 0.00 H new ATOM 0 HG SER B 82 3.908 -16.218 8.005 1.00 0.00 H new ATOM 1341 N THR B 83 2.543 -15.533 4.350 1.00 0.00 N ATOM 1342 CA THR B 83 1.619 -16.406 3.639 1.00 0.00 C ATOM 1343 C THR B 83 1.704 -17.826 4.198 1.00 0.00 C ATOM 1344 O THR B 83 0.711 -18.550 4.235 1.00 0.00 O ATOM 1345 CB THR B 83 1.894 -16.417 2.113 1.00 0.00 C ATOM 1346 OG1 THR B 83 0.892 -17.180 1.430 1.00 0.00 O ATOM 1347 CG2 THR B 83 3.264 -16.998 1.796 1.00 0.00 C ATOM 0 H THR B 83 3.528 -15.762 4.216 1.00 0.00 H new ATOM 0 HA THR B 83 0.613 -16.015 3.790 1.00 0.00 H new ATOM 0 HB THR B 83 1.867 -15.382 1.772 1.00 0.00 H new ATOM 0 HG1 THR B 83 1.078 -17.177 0.468 1.00 0.00 H new ATOM 0 HG21 THR B 83 3.422 -16.990 0.718 1.00 0.00 H new ATOM 0 HG22 THR B 83 4.035 -16.398 2.280 1.00 0.00 H new ATOM 0 HG23 THR B 83 3.318 -18.023 2.163 1.00 0.00 H new ATOM 1355 N VAL B 84 2.898 -18.210 4.644 1.00 0.00 N ATOM 1356 CA VAL B 84 3.127 -19.521 5.232 1.00 0.00 C ATOM 1357 C VAL B 84 4.180 -19.434 6.322 1.00 0.00 C ATOM 1358 O VAL B 84 4.849 -18.411 6.477 1.00 0.00 O ATOM 1359 CB VAL B 84 3.586 -20.569 4.195 1.00 0.00 C ATOM 1360 CG1 VAL B 84 2.441 -20.974 3.281 1.00 0.00 C ATOM 1361 CG2 VAL B 84 4.771 -20.057 3.391 1.00 0.00 C ATOM 0 H VAL B 84 3.730 -17.621 4.607 1.00 0.00 H new ATOM 0 HA VAL B 84 2.170 -19.842 5.643 1.00 0.00 H new ATOM 0 HB VAL B 84 3.908 -21.457 4.739 1.00 0.00 H new ATOM 0 HG11 VAL B 84 2.794 -21.713 2.561 1.00 0.00 H new ATOM 0 HG12 VAL B 84 1.635 -21.403 3.876 1.00 0.00 H new ATOM 0 HG13 VAL B 84 2.072 -20.097 2.749 1.00 0.00 H new ATOM 0 HG21 VAL B 84 5.075 -20.814 2.668 1.00 0.00 H new ATOM 0 HG22 VAL B 84 4.487 -19.146 2.865 1.00 0.00 H new ATOM 0 HG23 VAL B 84 5.602 -19.844 4.063 1.00 0.00 H new ATOM 1371 N ASN B 85 4.330 -20.517 7.056 1.00 0.00 N ATOM 1372 CA ASN B 85 5.269 -20.575 8.163 1.00 0.00 C ATOM 1373 C ASN B 85 6.109 -21.842 8.070 1.00 0.00 C ATOM 1374 O ASN B 85 6.637 -22.331 9.070 1.00 0.00 O ATOM 1375 CB ASN B 85 4.509 -20.530 9.493 1.00 0.00 C ATOM 1376 CG ASN B 85 3.571 -21.711 9.667 1.00 0.00 C ATOM 1377 OD1 ASN B 85 3.923 -22.711 10.294 1.00 0.00 O ATOM 1378 ND2 ASN B 85 2.381 -21.612 9.094 1.00 0.00 N ATOM 0 H ASN B 85 3.808 -21.380 6.905 1.00 0.00 H new ATOM 0 HA ASN B 85 5.936 -19.714 8.112 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.224 -20.514 10.316 1.00 0.00 H new ATOM 0 HB3 ASN B 85 3.937 -19.604 9.550 1.00 0.00 H new ATOM 0 HD21 ASN B 85 1.716 -22.382 9.163 1.00 0.00 H new ATOM 0 HD22 ASN B 85 2.129 -20.765 8.584 1.00 0.00 H new ATOM 1385 N ASP B 86 6.241 -22.362 6.853 1.00 0.00 N ATOM 1386 CA ASP B 86 6.987 -23.599 6.626 1.00 0.00 C ATOM 1387 C ASP B 86 8.483 -23.371 6.771 1.00 0.00 C ATOM 1388 O ASP B 86 9.240 -24.298 7.045 1.00 0.00 O ATOM 1389 CB ASP B 86 6.686 -24.180 5.242 1.00 0.00 C ATOM 1390 CG ASP B 86 5.322 -24.835 5.166 1.00 0.00 C ATOM 1391 OD1 ASP B 86 5.204 -26.014 5.557 1.00 0.00 O1- ATOM 1392 OD2 ASP B 86 4.365 -24.177 4.705 1.00 0.00 O ATOM 0 H ASP B 86 5.843 -21.948 6.010 1.00 0.00 H new ATOM 0 HA ASP B 86 6.666 -24.314 7.384 1.00 0.00 H new ATOM 0 HB2 ASP B 86 6.745 -23.385 4.498 1.00 0.00 H new ATOM 0 HB3 ASP B 86 7.451 -24.913 4.986 1.00 0.00 H new ATOM 1397 N GLY B 87 8.899 -22.127 6.581 1.00 0.00 N ATOM 1398 CA GLY B 87 10.289 -21.767 6.765 1.00 0.00 C ATOM 1399 C GLY B 87 11.157 -22.170 5.592 1.00 0.00 C ATOM 1400 O GLY B 87 12.371 -22.308 5.736 1.00 0.00 O ATOM 0 H GLY B 87 8.293 -21.356 6.301 1.00 0.00 H new ATOM 0 HA2 GLY B 87 10.364 -20.690 6.914 1.00 0.00 H new ATOM 0 HA3 GLY B 87 10.666 -22.242 7.671 1.00 0.00 H new ATOM 1404 N SER B 88 10.544 -22.348 4.427 1.00 0.00 N ATOM 1405 CA SER B 88 11.285 -22.747 3.240 1.00 0.00 C ATOM 1406 C SER B 88 12.201 -21.621 2.786 1.00 0.00 C ATOM 1407 O SER B 88 13.293 -21.853 2.272 1.00 0.00 O ATOM 1408 CB SER B 88 10.328 -23.156 2.115 1.00 0.00 C ATOM 1409 OG SER B 88 11.035 -23.643 0.985 1.00 0.00 O ATOM 0 H SER B 88 9.542 -22.223 4.281 1.00 0.00 H new ATOM 0 HA SER B 88 11.900 -23.612 3.491 1.00 0.00 H new ATOM 0 HB2 SER B 88 9.645 -23.924 2.478 1.00 0.00 H new ATOM 0 HB3 SER B 88 9.719 -22.300 1.824 1.00 0.00 H new ATOM 0 HG SER B 88 10.398 -23.897 0.285 1.00 0.00 H new ATOM 1415 N SER B 89 11.746 -20.403 2.994 1.00 0.00 N ATOM 1416 CA SER B 89 12.544 -19.226 2.710 1.00 0.00 C ATOM 1417 C SER B 89 13.008 -18.613 4.026 1.00 0.00 C ATOM 1418 O SER B 89 12.248 -17.918 4.703 1.00 0.00 O ATOM 1419 CB SER B 89 11.729 -18.219 1.891 1.00 0.00 C ATOM 1420 OG SER B 89 12.542 -17.163 1.409 1.00 0.00 O ATOM 0 H SER B 89 10.817 -20.200 3.363 1.00 0.00 H new ATOM 0 HA SER B 89 13.418 -19.504 2.120 1.00 0.00 H new ATOM 0 HB2 SER B 89 11.257 -18.729 1.051 1.00 0.00 H new ATOM 0 HB3 SER B 89 10.928 -17.811 2.507 1.00 0.00 H new ATOM 0 HG SER B 89 12.098 -16.727 0.652 1.00 0.00 H new ATOM 1426 N GLY B 90 14.249 -18.898 4.397 1.00 0.00 N ATOM 1427 CA GLY B 90 14.755 -18.467 5.685 1.00 0.00 C ATOM 1428 C GLY B 90 15.287 -17.048 5.672 1.00 0.00 C ATOM 1429 O GLY B 90 14.897 -16.227 6.502 1.00 0.00 O ATOM 0 H GLY B 90 14.915 -19.421 3.828 1.00 0.00 H new ATOM 0 HA2 GLY B 90 13.958 -18.543 6.425 1.00 0.00 H new ATOM 0 HA3 GLY B 90 15.549 -19.143 6.001 1.00 0.00 H new ATOM 1433 N LYS B 91 16.163 -16.746 4.721 1.00 0.00 N ATOM 1434 CA LYS B 91 16.828 -15.450 4.691 1.00 0.00 C ATOM 1435 C LYS B 91 16.065 -14.445 3.847 1.00 0.00 C ATOM 1436 O LYS B 91 16.539 -13.343 3.586 1.00 0.00 O ATOM 1437 CB LYS B 91 18.265 -15.587 4.182 1.00 0.00 C ATOM 1438 CG LYS B 91 19.161 -16.416 5.092 1.00 0.00 C ATOM 1439 CD LYS B 91 19.157 -15.890 6.523 1.00 0.00 C ATOM 1440 CE LYS B 91 19.669 -14.462 6.598 1.00 0.00 C ATOM 1441 NZ LYS B 91 19.540 -13.896 7.963 1.00 0.00 N1+ ATOM 0 H LYS B 91 16.428 -17.377 3.965 1.00 0.00 H new ATOM 0 HA LYS B 91 16.852 -15.076 5.715 1.00 0.00 H new ATOM 0 HB2 LYS B 91 18.248 -16.042 3.191 1.00 0.00 H new ATOM 0 HB3 LYS B 91 18.697 -14.593 4.069 1.00 0.00 H new ATOM 0 HG2 LYS B 91 18.826 -17.453 5.085 1.00 0.00 H new ATOM 0 HG3 LYS B 91 20.180 -16.408 4.705 1.00 0.00 H new ATOM 0 HD2 LYS B 91 18.145 -15.935 6.924 1.00 0.00 H new ATOM 0 HD3 LYS B 91 19.777 -16.532 7.149 1.00 0.00 H new ATOM 0 HE2 LYS B 91 20.715 -14.435 6.292 1.00 0.00 H new ATOM 0 HE3 LYS B 91 19.115 -13.841 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 19.901 -12.921 7.970 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 18.539 -13.897 8.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 20.089 -14.473 8.631 1.00 0.00 H new ATOM 1455 N MET B 92 14.874 -14.826 3.440 1.00 0.00 N ATOM 1456 CA MET B 92 14.008 -13.933 2.693 1.00 0.00 C ATOM 1457 C MET B 92 12.603 -13.943 3.273 1.00 0.00 C ATOM 1458 O MET B 92 12.291 -13.122 4.129 1.00 0.00 O ATOM 1459 CB MET B 92 13.988 -14.285 1.210 1.00 0.00 C ATOM 1460 CG MET B 92 15.253 -13.860 0.480 1.00 0.00 C ATOM 1461 SD MET B 92 15.095 -13.993 -1.305 1.00 0.00 S ATOM 1462 CE MET B 92 14.530 -15.679 -1.429 1.00 0.00 C ATOM 0 H MET B 92 14.480 -15.751 3.613 1.00 0.00 H new ATOM 0 HA MET B 92 14.411 -12.924 2.783 1.00 0.00 H new ATOM 0 HB2 MET B 92 13.856 -15.361 1.100 1.00 0.00 H new ATOM 0 HB3 MET B 92 13.127 -13.809 0.741 1.00 0.00 H new ATOM 0 HG2 MET B 92 15.493 -12.830 0.745 1.00 0.00 H new ATOM 0 HG3 MET B 92 16.087 -14.477 0.815 1.00 0.00 H new ATOM 0 HE1 MET B 92 14.665 -16.034 -2.451 1.00 0.00 H new ATOM 0 HE2 MET B 92 15.105 -16.307 -0.748 1.00 0.00 H new ATOM 0 HE3 MET B 92 13.474 -15.729 -1.164 1.00 0.00 H new ATOM 1472 N ASN B 93 11.780 -14.892 2.825 1.00 0.00 N ATOM 1473 CA ASN B 93 10.380 -15.014 3.253 1.00 0.00 C ATOM 1474 C ASN B 93 9.574 -13.758 2.920 1.00 0.00 C ATOM 1475 O ASN B 93 8.792 -13.752 1.975 1.00 0.00 O ATOM 1476 CB ASN B 93 10.278 -15.325 4.749 1.00 0.00 C ATOM 1477 CG ASN B 93 8.841 -15.498 5.217 1.00 0.00 C ATOM 1478 OD1 ASN B 93 8.508 -15.190 6.361 1.00 0.00 O ATOM 1479 ND2 ASN B 93 7.978 -16.005 4.344 1.00 0.00 N ATOM 0 H ASN B 93 12.065 -15.603 2.151 1.00 0.00 H new ATOM 0 HA ASN B 93 9.953 -15.848 2.697 1.00 0.00 H new ATOM 0 HB2 ASN B 93 10.838 -16.235 4.966 1.00 0.00 H new ATOM 0 HB3 ASN B 93 10.746 -14.520 5.316 1.00 0.00 H new ATOM 0 HD21 ASN B 93 7.005 -16.150 4.614 1.00 0.00 H new ATOM 0 HD22 ASN B 93 8.288 -16.249 3.403 1.00 0.00 H new ATOM 1486 N SER B 94 9.786 -12.699 3.687 1.00 0.00 N ATOM 1487 CA SER B 94 9.089 -11.441 3.482 1.00 0.00 C ATOM 1488 C SER B 94 9.361 -10.896 2.084 1.00 0.00 C ATOM 1489 O SER B 94 8.516 -10.229 1.492 1.00 0.00 O ATOM 1490 CB SER B 94 9.530 -10.437 4.543 1.00 0.00 C ATOM 1491 OG SER B 94 10.945 -10.395 4.638 1.00 0.00 O ATOM 0 H SER B 94 10.444 -12.689 4.466 1.00 0.00 H new ATOM 0 HA SER B 94 8.016 -11.610 3.573 1.00 0.00 H new ATOM 0 HB2 SER B 94 9.148 -9.447 4.295 1.00 0.00 H new ATOM 0 HB3 SER B 94 9.104 -10.710 5.508 1.00 0.00 H new ATOM 0 HG SER B 94 11.208 -9.745 5.322 1.00 0.00 H new ATOM 1497 N ASP B 95 10.536 -11.212 1.553 1.00 0.00 N ATOM 1498 CA ASP B 95 10.909 -10.785 0.210 1.00 0.00 C ATOM 1499 C ASP B 95 10.036 -11.475 -0.836 1.00 0.00 C ATOM 1500 O ASP B 95 9.678 -10.880 -1.850 1.00 0.00 O ATOM 1501 CB ASP B 95 12.385 -11.079 -0.061 1.00 0.00 C ATOM 1502 CG ASP B 95 12.851 -10.519 -1.389 1.00 0.00 C ATOM 1503 OD1 ASP B 95 13.245 -9.335 -1.432 1.00 0.00 O ATOM 1504 OD2 ASP B 95 12.832 -11.259 -2.393 1.00 0.00 O1- ATOM 0 H ASP B 95 11.248 -11.763 2.033 1.00 0.00 H new ATOM 0 HA ASP B 95 10.751 -9.709 0.142 1.00 0.00 H new ATOM 0 HB2 ASP B 95 12.990 -10.656 0.741 1.00 0.00 H new ATOM 0 HB3 ASP B 95 12.546 -12.157 -0.048 1.00 0.00 H new ATOM 1509 N LEU B 96 9.674 -12.729 -0.575 1.00 0.00 N ATOM 1510 CA LEU B 96 8.794 -13.464 -1.475 1.00 0.00 C ATOM 1511 C LEU B 96 7.389 -12.889 -1.367 1.00 0.00 C ATOM 1512 O LEU B 96 6.631 -12.868 -2.337 1.00 0.00 O ATOM 1513 CB LEU B 96 8.823 -14.978 -1.157 1.00 0.00 C ATOM 1514 CG LEU B 96 7.713 -15.524 -0.245 1.00 0.00 C ATOM 1515 CD1 LEU B 96 6.466 -15.866 -1.051 1.00 0.00 C ATOM 1516 CD2 LEU B 96 8.203 -16.749 0.507 1.00 0.00 C ATOM 0 H LEU B 96 9.975 -13.253 0.247 1.00 0.00 H new ATOM 0 HA LEU B 96 9.140 -13.353 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU B 96 8.784 -15.522 -2.100 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.783 -15.208 -0.696 1.00 0.00 H new ATOM 0 HG LEU B 96 7.453 -14.748 0.475 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.695 -16.250 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU B 96 6.099 -14.970 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU B 96 6.711 -16.623 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU B 96 7.406 -17.125 1.149 1.00 0.00 H new ATOM 0 HD22 LEU B 96 8.490 -17.522 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU B 96 9.065 -16.480 1.118 1.00 0.00 H new ATOM 1528 N GLN B 97 7.062 -12.398 -0.174 1.00 0.00 N ATOM 1529 CA GLN B 97 5.784 -11.747 0.065 1.00 0.00 C ATOM 1530 C GLN B 97 5.677 -10.494 -0.796 1.00 0.00 C ATOM 1531 O GLN B 97 4.590 -10.127 -1.236 1.00 0.00 O ATOM 1532 CB GLN B 97 5.626 -11.370 1.543 1.00 0.00 C ATOM 1533 CG GLN B 97 5.868 -12.520 2.514 1.00 0.00 C ATOM 1534 CD GLN B 97 4.939 -13.699 2.300 1.00 0.00 C ATOM 1535 OE1 GLN B 97 5.303 -14.841 2.567 1.00 0.00 O ATOM 1536 NE2 GLN B 97 3.728 -13.431 1.837 1.00 0.00 N ATOM 0 H GLN B 97 7.670 -12.441 0.644 1.00 0.00 H new ATOM 0 HA GLN B 97 4.990 -12.445 -0.199 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.319 -10.562 1.776 1.00 0.00 H new ATOM 0 HB3 GLN B 97 4.620 -10.982 1.701 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.900 -12.858 2.414 1.00 0.00 H new ATOM 0 HG3 GLN B 97 5.749 -12.155 3.534 1.00 0.00 H new ATOM 0 HE21 GLN B 97 3.464 -12.468 1.627 1.00 0.00 H new ATOM 0 HE22 GLN B 97 3.059 -14.187 1.690 1.00 0.00 H new ATOM 1545 N LYS B 98 6.821 -9.848 -1.035 1.00 0.00 N ATOM 1546 CA LYS B 98 6.878 -8.674 -1.899 1.00 0.00 C ATOM 1547 C LYS B 98 6.309 -8.989 -3.279 1.00 0.00 C ATOM 1548 O LYS B 98 5.528 -8.212 -3.817 1.00 0.00 O ATOM 1549 CB LYS B 98 8.316 -8.152 -2.033 1.00 0.00 C ATOM 1550 CG LYS B 98 8.663 -7.012 -1.086 1.00 0.00 C ATOM 1551 CD LYS B 98 8.600 -7.445 0.366 1.00 0.00 C ATOM 1552 CE LYS B 98 8.835 -6.275 1.307 1.00 0.00 C ATOM 1553 NZ LYS B 98 10.209 -5.722 1.188 1.00 0.00 N1+ ATOM 0 H LYS B 98 7.721 -10.122 -0.640 1.00 0.00 H new ATOM 0 HA LYS B 98 6.271 -7.896 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.007 -8.977 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS B 98 8.474 -7.817 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS B 98 9.664 -6.644 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS B 98 7.974 -6.183 -1.248 1.00 0.00 H new ATOM 0 HD2 LYS B 98 7.626 -7.889 0.572 1.00 0.00 H new ATOM 0 HD3 LYS B 98 9.348 -8.217 0.549 1.00 0.00 H new ATOM 0 HE2 LYS B 98 8.110 -5.489 1.094 1.00 0.00 H new ATOM 0 HE3 LYS B 98 8.663 -6.598 2.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 10.322 -4.927 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 10.902 -6.463 1.416 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.366 -5.389 0.215 1.00 0.00 H new ATOM 1567 N GLU B 99 6.683 -10.141 -3.831 1.00 0.00 N ATOM 1568 CA GLU B 99 6.196 -10.552 -5.146 1.00 0.00 C ATOM 1569 C GLU B 99 4.676 -10.615 -5.146 1.00 0.00 C ATOM 1570 O GLU B 99 4.014 -9.992 -5.976 1.00 0.00 O ATOM 1571 CB GLU B 99 6.755 -11.925 -5.524 1.00 0.00 C ATOM 1572 CG GLU B 99 6.532 -12.297 -6.981 1.00 0.00 C ATOM 1573 CD GLU B 99 7.284 -11.398 -7.938 1.00 0.00 C ATOM 1574 OE1 GLU B 99 6.754 -10.325 -8.296 1.00 0.00 O1- ATOM 1575 OE2 GLU B 99 8.404 -11.767 -8.354 1.00 0.00 O ATOM 0 H GLU B 99 7.320 -10.805 -3.390 1.00 0.00 H new ATOM 0 HA GLU B 99 6.532 -9.816 -5.876 1.00 0.00 H new ATOM 0 HB2 GLU B 99 7.824 -11.942 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.293 -12.682 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU B 99 6.843 -13.330 -7.139 1.00 0.00 H new ATOM 0 HG3 GLU B 99 5.466 -12.248 -7.205 1.00 0.00 H new ATOM 1582 N LEU B 100 4.131 -11.365 -4.195 1.00 0.00 N ATOM 1583 CA LEU B 100 2.689 -11.540 -4.081 1.00 0.00 C ATOM 1584 C LEU B 100 1.996 -10.202 -3.853 1.00 0.00 C ATOM 1585 O LEU B 100 0.919 -9.950 -4.392 1.00 0.00 O ATOM 1586 CB LEU B 100 2.342 -12.507 -2.942 1.00 0.00 C ATOM 1587 CG LEU B 100 2.473 -14.005 -3.256 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.544 -14.393 -4.396 1.00 0.00 C ATOM 1589 CD2 LEU B 100 3.910 -14.379 -3.586 1.00 0.00 C ATOM 0 H LEU B 100 4.671 -11.864 -3.488 1.00 0.00 H new ATOM 0 HA LEU B 100 2.333 -11.964 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU B 100 2.985 -12.278 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.317 -12.312 -2.628 1.00 0.00 H new ATOM 0 HG LEU B 100 2.182 -14.560 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.650 -15.457 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.513 -14.179 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU B 100 1.803 -13.821 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU B 100 3.968 -15.446 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.243 -13.813 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.551 -14.147 -2.735 1.00 0.00 H new ATOM 1601 N ALA B 101 2.630 -9.342 -3.066 1.00 0.00 N ATOM 1602 CA ALA B 101 2.094 -8.019 -2.793 1.00 0.00 C ATOM 1603 C ALA B 101 2.034 -7.186 -4.071 1.00 0.00 C ATOM 1604 O ALA B 101 1.015 -6.564 -4.366 1.00 0.00 O ATOM 1605 CB ALA B 101 2.926 -7.320 -1.727 1.00 0.00 C ATOM 0 H ALA B 101 3.518 -9.540 -2.605 1.00 0.00 H new ATOM 0 HA ALA B 101 1.077 -8.129 -2.416 1.00 0.00 H new ATOM 0 HB1 ALA B 101 2.512 -6.330 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA B 101 2.908 -7.907 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA B 101 3.954 -7.222 -2.075 1.00 0.00 H new ATOM 1611 N VAL B 102 3.121 -7.204 -4.844 1.00 0.00 N ATOM 1612 CA VAL B 102 3.181 -6.466 -6.106 1.00 0.00 C ATOM 1613 C VAL B 102 2.114 -6.971 -7.073 1.00 0.00 C ATOM 1614 O VAL B 102 1.555 -6.197 -7.851 1.00 0.00 O ATOM 1615 CB VAL B 102 4.574 -6.572 -6.774 1.00 0.00 C ATOM 1616 CG1 VAL B 102 4.597 -5.847 -8.111 1.00 0.00 C ATOM 1617 CG2 VAL B 102 5.655 -6.015 -5.863 1.00 0.00 C ATOM 0 H VAL B 102 3.971 -7.721 -4.618 1.00 0.00 H new ATOM 0 HA VAL B 102 2.996 -5.418 -5.871 1.00 0.00 H new ATOM 0 HB VAL B 102 4.775 -7.629 -6.950 1.00 0.00 H new ATOM 0 HG11 VAL B 102 5.587 -5.938 -8.557 1.00 0.00 H new ATOM 0 HG12 VAL B 102 3.857 -6.289 -8.778 1.00 0.00 H new ATOM 0 HG13 VAL B 102 4.364 -4.793 -7.958 1.00 0.00 H new ATOM 0 HG21 VAL B 102 6.624 -6.101 -6.354 1.00 0.00 H new ATOM 0 HG22 VAL B 102 5.447 -4.966 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL B 102 5.670 -6.578 -4.930 1.00 0.00 H new ATOM 1627 N ASN B 103 1.813 -8.265 -6.995 1.00 0.00 N ATOM 1628 CA ASN B 103 0.789 -8.876 -7.840 1.00 0.00 C ATOM 1629 C ASN B 103 -0.550 -8.161 -7.692 1.00 0.00 C ATOM 1630 O ASN B 103 -1.348 -8.116 -8.629 1.00 0.00 O ATOM 1631 CB ASN B 103 0.619 -10.361 -7.507 1.00 0.00 C ATOM 1632 CG ASN B 103 1.562 -11.259 -8.286 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.258 -11.668 -9.406 1.00 0.00 O ATOM 1634 ND2 ASN B 103 2.701 -11.588 -7.696 1.00 0.00 N ATOM 0 H ASN B 103 2.266 -8.914 -6.352 1.00 0.00 H new ATOM 0 HA ASN B 103 1.123 -8.780 -8.873 1.00 0.00 H new ATOM 0 HB2 ASN B 103 0.785 -10.509 -6.440 1.00 0.00 H new ATOM 0 HB3 ASN B 103 -0.409 -10.658 -7.714 1.00 0.00 H new ATOM 0 HD21 ASN B 103 3.363 -12.201 -8.171 1.00 0.00 H new ATOM 0 HD22 ASN B 103 2.916 -11.228 -6.766 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.786 -7.592 -6.517 1.00 0.00 N ATOM 1642 CA TYR B 104 -2.009 -6.853 -6.262 1.00 0.00 C ATOM 1643 C TYR B 104 -1.903 -5.438 -6.821 1.00 0.00 C ATOM 1644 O TYR B 104 -2.823 -4.953 -7.476 1.00 0.00 O ATOM 1645 CB TYR B 104 -2.313 -6.819 -4.763 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.958 -8.085 -4.236 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.371 -9.329 -4.438 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -4.158 -8.032 -3.538 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -2.963 -10.482 -3.960 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.755 -9.182 -3.055 1.00 0.00 C ATOM 1651 CZ TYR B 104 -4.153 -10.404 -3.268 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.742 -11.553 -2.784 1.00 0.00 O ATOM 0 H TYR B 104 -0.143 -7.630 -5.726 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.831 -7.361 -6.766 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -1.385 -6.642 -4.219 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.970 -5.975 -4.555 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.438 -9.395 -4.977 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -4.633 -7.077 -3.370 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.495 -11.441 -4.128 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.688 -9.123 -2.514 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.574 -11.324 -2.320 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.764 -4.789 -6.588 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.533 -3.436 -7.098 1.00 0.00 C ATOM 1664 C LEU B 105 -0.610 -3.412 -8.621 1.00 0.00 C ATOM 1665 O LEU B 105 -1.055 -2.429 -9.213 1.00 0.00 O ATOM 1666 CB LEU B 105 0.830 -2.886 -6.650 1.00 0.00 C ATOM 1667 CG LEU B 105 0.915 -2.371 -5.205 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.181 -1.354 -4.929 1.00 0.00 C ATOM 1669 CD2 LEU B 105 0.839 -3.514 -4.213 1.00 0.00 C ATOM 0 H LEU B 105 0.012 -5.175 -6.051 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.316 -2.801 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.575 -3.672 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.107 -2.072 -7.320 1.00 0.00 H new ATOM 0 HG LEU B 105 1.880 -1.880 -5.083 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.101 -1.003 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.073 -0.509 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.155 -1.819 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU B 105 0.902 -3.120 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -0.106 -4.043 -4.339 1.00 0.00 H new ATOM 0 HD23 LEU B 105 1.666 -4.202 -4.387 1.00 0.00 H new ATOM 1681 N ASN B 106 -0.189 -4.506 -9.245 1.00 0.00 N ATOM 1682 CA ASN B 106 -0.238 -4.632 -10.699 1.00 0.00 C ATOM 1683 C ASN B 106 -1.666 -4.494 -11.212 1.00 0.00 C ATOM 1684 O ASN B 106 -1.894 -4.021 -12.322 1.00 0.00 O ATOM 1685 CB ASN B 106 0.338 -5.975 -11.153 1.00 0.00 C ATOM 1686 CG ASN B 106 1.837 -6.068 -10.959 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.551 -5.065 -11.006 1.00 0.00 O ATOM 1688 ND2 ASN B 106 2.327 -7.275 -10.741 1.00 0.00 N ATOM 0 H ASN B 106 0.192 -5.322 -8.766 1.00 0.00 H new ATOM 0 HA ASN B 106 0.368 -3.827 -11.115 1.00 0.00 H new ATOM 0 HB2 ASN B 106 -0.146 -6.779 -10.598 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.103 -6.128 -12.206 1.00 0.00 H new ATOM 0 HD21 ASN B 106 3.330 -7.401 -10.604 1.00 0.00 H new ATOM 0 HD22 ASN B 106 1.703 -8.081 -10.709 1.00 0.00 H new ATOM 1695 N THR B 107 -2.628 -4.899 -10.394 1.00 0.00 N ATOM 1696 CA THR B 107 -4.024 -4.842 -10.789 1.00 0.00 C ATOM 1697 C THR B 107 -4.686 -3.560 -10.299 1.00 0.00 C ATOM 1698 O THR B 107 -5.850 -3.302 -10.604 1.00 0.00 O ATOM 1699 CB THR B 107 -4.818 -6.055 -10.257 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.818 -6.075 -8.823 1.00 0.00 O ATOM 1701 CG2 THR B 107 -4.232 -7.353 -10.778 1.00 0.00 C ATOM 0 H THR B 107 -2.466 -5.269 -9.457 1.00 0.00 H new ATOM 0 HA THR B 107 -4.039 -4.861 -11.879 1.00 0.00 H new ATOM 0 HB THR B 107 -5.844 -5.959 -10.612 1.00 0.00 H new ATOM 0 HG1 THR B 107 -4.196 -5.397 -8.486 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.807 -8.194 -10.390 1.00 0.00 H new ATOM 0 HG22 THR B 107 -4.271 -7.358 -11.867 1.00 0.00 H new ATOM 0 HG23 THR B 107 -3.196 -7.441 -10.452 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.937 -2.758 -9.549 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.483 -1.549 -8.949 1.00 0.00 C ATOM 1711 C LEU B 108 -4.016 -0.306 -9.686 1.00 0.00 C ATOM 1712 O LEU B 108 -4.605 0.767 -9.544 1.00 0.00 O ATOM 1713 CB LEU B 108 -4.093 -1.451 -7.480 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.626 -2.568 -6.591 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -4.183 -2.362 -5.154 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -6.145 -2.642 -6.684 1.00 0.00 C ATOM 0 H LEU B 108 -2.952 -2.924 -9.343 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.569 -1.610 -9.027 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -3.005 -1.440 -7.409 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.447 -0.497 -7.089 1.00 0.00 H new ATOM 0 HG LEU B 108 -4.216 -3.515 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.573 -3.169 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -3.094 -2.361 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.563 -1.408 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.510 -3.445 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.576 -1.695 -6.360 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -6.437 -2.840 -7.715 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.958 -0.453 -10.462 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.447 0.649 -11.258 1.00 0.00 C ATOM 1730 C ARG B 109 -3.236 0.758 -12.559 1.00 0.00 C ATOM 1731 O ARG B 109 -4.057 -0.111 -12.861 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.955 0.456 -11.538 1.00 0.00 C ATOM 1733 CG ARG B 109 -0.633 -0.797 -12.335 1.00 0.00 C ATOM 1734 CD ARG B 109 0.868 -0.982 -12.497 1.00 0.00 C ATOM 1735 NE ARG B 109 1.190 -2.157 -13.304 1.00 0.00 N ATOM 1736 CZ ARG B 109 2.409 -2.683 -13.408 1.00 0.00 C ATOM 1737 NH1 ARG B 109 3.435 -2.145 -12.757 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 2.599 -3.753 -14.169 1.00 0.00 N ATOM 0 H ARG B 109 -2.436 -1.324 -10.558 1.00 0.00 H new ATOM 0 HA ARG B 109 -2.568 1.578 -10.701 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.582 1.325 -12.080 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.420 0.418 -10.589 1.00 0.00 H new ATOM 0 HG2 ARG B 109 -1.056 -1.667 -11.834 1.00 0.00 H new ATOM 0 HG3 ARG B 109 -1.102 -0.736 -13.317 1.00 0.00 H new ATOM 0 HD2 ARG B 109 1.295 -0.094 -12.963 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.330 -1.079 -11.514 1.00 0.00 H new ATOM 0 HE ARG B 109 0.432 -2.603 -13.821 1.00 0.00 H new ATOM 0 HH11 ARG B 109 3.292 -1.322 -12.171 1.00 0.00 H new ATOM 0 HH12 ARG B 109 4.365 -2.555 -12.843 1.00 0.00 H new ATOM 0 HH21 ARG B 109 1.814 -4.168 -14.670 1.00 0.00 H new ATOM 0 HH22 ARG B 109 3.530 -4.160 -14.253 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.988 1.813 -13.322 1.00 0.00 N ATOM 1753 CA TYR B 110 -3.725 2.056 -14.555 1.00 0.00 C ATOM 1754 C TYR B 110 -3.597 0.870 -15.506 1.00 0.00 C ATOM 1755 O TYR B 110 -2.505 0.331 -15.700 1.00 0.00 O ATOM 1756 CB TYR B 110 -3.218 3.331 -15.230 1.00 0.00 C ATOM 1757 CG TYR B 110 -4.009 3.740 -16.451 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -5.243 4.363 -16.322 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -3.518 3.515 -17.730 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -5.963 4.751 -17.433 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -4.235 3.898 -18.846 1.00 0.00 C ATOM 1762 CZ TYR B 110 -5.457 4.516 -18.692 1.00 0.00 C ATOM 1763 OH TYR B 110 -6.171 4.912 -19.799 1.00 0.00 O ATOM 0 H TYR B 110 -2.281 2.516 -13.109 1.00 0.00 H new ATOM 0 HA TYR B 110 -4.778 2.182 -14.305 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -3.240 4.146 -14.506 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -2.176 3.188 -15.517 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -5.645 4.547 -15.337 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -2.560 3.033 -17.854 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -6.920 5.237 -17.316 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -3.840 3.714 -19.834 1.00 0.00 H new ATOM 0 HH TYR B 110 -5.676 4.674 -20.610 1.00 0.00 H new ATOM 1773 N GLY B 111 -4.716 0.467 -16.090 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.714 -0.663 -16.992 1.00 0.00 C ATOM 1775 C GLY B 111 -4.750 -1.985 -16.257 1.00 0.00 C ATOM 1776 O GLY B 111 -4.133 -2.961 -16.686 1.00 0.00 O ATOM 0 H GLY B 111 -5.627 0.905 -15.954 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -5.575 -0.596 -17.657 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -3.823 -0.623 -17.619 1.00 0.00 H new ATOM 1780 N GLY B 112 -5.463 -2.011 -15.138 1.00 0.00 N ATOM 1781 CA GLY B 112 -5.632 -3.235 -14.391 1.00 0.00 C ATOM 1782 C GLY B 112 -7.048 -3.753 -14.492 1.00 0.00 C ATOM 1783 O GLY B 112 -7.788 -3.375 -15.400 1.00 0.00 O ATOM 0 H GLY B 112 -5.929 -1.198 -14.735 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -4.940 -3.989 -14.765 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -5.380 -3.062 -13.345 1.00 0.00 H new ATOM 1787 N ILE B 113 -7.436 -4.596 -13.552 1.00 0.00 N ATOM 1788 CA ILE B 113 -8.761 -5.207 -13.580 1.00 0.00 C ATOM 1789 C ILE B 113 -9.725 -4.504 -12.629 1.00 0.00 C ATOM 1790 O ILE B 113 -10.854 -4.189 -13.000 1.00 0.00 O ATOM 1791 CB ILE B 113 -8.703 -6.715 -13.247 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -7.915 -6.972 -11.960 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -8.088 -7.480 -14.404 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -7.880 -8.427 -11.546 1.00 0.00 C ATOM 0 H ILE B 113 -6.857 -4.875 -12.760 1.00 0.00 H new ATOM 0 HA ILE B 113 -9.133 -5.093 -14.598 1.00 0.00 H new ATOM 0 HB ILE B 113 -9.723 -7.066 -13.088 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -6.893 -6.617 -12.094 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -8.353 -6.385 -11.153 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -8.051 -8.542 -14.160 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -8.693 -7.334 -15.299 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -7.077 -7.115 -14.586 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -7.304 -8.530 -10.626 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -8.897 -8.782 -11.379 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -7.414 -9.018 -12.334 1.00 0.00 H new ATOM 1806 N HIS B 114 -9.275 -4.259 -11.406 1.00 0.00 N ATOM 1807 CA HIS B 114 -10.086 -3.574 -10.406 1.00 0.00 C ATOM 1808 C HIS B 114 -9.293 -2.405 -9.859 1.00 0.00 C ATOM 1809 O HIS B 114 -9.203 -2.204 -8.647 1.00 0.00 O ATOM 1810 CB HIS B 114 -10.474 -4.526 -9.266 1.00 0.00 C ATOM 1811 CG HIS B 114 -11.113 -5.797 -9.727 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -10.665 -7.039 -9.348 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -12.165 -6.014 -10.549 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -11.413 -7.965 -9.914 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -12.333 -7.373 -10.650 1.00 0.00 N ATOM 0 H HIS B 114 -8.346 -4.526 -11.080 1.00 0.00 H new ATOM 0 HA HIS B 114 -11.006 -3.220 -10.871 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -9.582 -4.768 -8.689 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -11.159 -4.010 -8.593 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.763 -5.258 -11.036 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -11.292 -9.032 -9.795 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -13.049 -7.845 -11.202 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.708 -1.643 -10.767 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.743 -0.630 -10.395 1.00 0.00 C ATOM 1826 C TYR B 115 -8.423 0.623 -9.869 1.00 0.00 C ATOM 1827 O TYR B 115 -9.559 0.938 -10.231 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.820 -0.303 -11.579 1.00 0.00 C ATOM 1829 CG TYR B 115 -7.277 0.838 -12.461 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.932 2.149 -12.155 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -8.039 0.609 -13.597 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -7.336 3.198 -12.951 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -8.447 1.655 -14.402 1.00 0.00 C ATOM 1834 CZ TYR B 115 -8.094 2.949 -14.074 1.00 0.00 C ATOM 1835 OH TYR B 115 -8.501 3.999 -14.867 1.00 0.00 O ATOM 0 H TYR B 115 -8.887 -1.709 -11.769 1.00 0.00 H new ATOM 0 HA TYR B 115 -7.133 -1.031 -9.586 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.829 -0.066 -11.191 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.716 -1.197 -12.194 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -6.336 2.349 -11.277 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -8.317 -0.402 -13.856 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -7.060 4.211 -12.696 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -9.039 1.461 -15.284 1.00 0.00 H new ATOM 0 HH TYR B 115 -7.759 4.282 -15.442 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.719 1.320 -8.997 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.183 2.587 -8.465 1.00 0.00 C ATOM 1847 C ASN B 116 -7.176 3.658 -8.831 1.00 0.00 C ATOM 1848 O ASN B 116 -5.973 3.482 -8.625 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.322 2.530 -6.941 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.274 1.456 -6.449 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -9.107 0.934 -5.348 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -10.272 1.120 -7.250 1.00 0.00 N ATOM 0 H ASN B 116 -6.811 1.024 -8.638 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.162 2.810 -8.889 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.339 2.358 -6.503 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.667 3.499 -6.581 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.938 0.404 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -10.375 1.577 -8.156 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.661 4.766 -9.374 1.00 0.00 N ATOM 1860 CA GLU B 117 -6.783 5.850 -9.796 1.00 0.00 C ATOM 1861 C GLU B 117 -6.035 6.435 -8.603 1.00 0.00 C ATOM 1862 O GLU B 117 -4.962 7.012 -8.764 1.00 0.00 O ATOM 1863 CB GLU B 117 -7.564 6.946 -10.527 1.00 0.00 C ATOM 1864 CG GLU B 117 -8.699 7.544 -9.715 1.00 0.00 C ATOM 1865 CD GLU B 117 -9.289 8.776 -10.367 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -10.196 8.634 -11.215 1.00 0.00 O ATOM 1867 OE2 GLU B 117 -8.846 9.895 -10.035 1.00 0.00 O1- ATOM 0 H GLU B 117 -8.654 4.938 -9.533 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.055 5.434 -10.492 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -6.875 7.742 -10.809 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -7.970 6.534 -11.451 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.481 6.796 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.334 7.802 -8.721 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.595 6.260 -7.406 1.00 0.00 N ATOM 1875 CA ALA B 118 -5.952 6.736 -6.191 1.00 0.00 C ATOM 1876 C ALA B 118 -4.744 5.878 -5.848 1.00 0.00 C ATOM 1877 O ALA B 118 -3.775 6.366 -5.278 1.00 0.00 O ATOM 1878 CB ALA B 118 -6.936 6.755 -5.033 1.00 0.00 C ATOM 0 H ALA B 118 -7.490 5.793 -7.256 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.610 7.756 -6.368 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.434 7.114 -4.135 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.768 7.417 -5.273 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.313 5.747 -4.859 1.00 0.00 H new ATOM 1884 N ILE B 119 -4.796 4.598 -6.210 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.669 3.702 -5.986 1.00 0.00 C ATOM 1886 C ILE B 119 -2.537 4.060 -6.934 1.00 0.00 C ATOM 1887 O ILE B 119 -1.368 4.073 -6.550 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.051 2.219 -6.191 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.192 1.821 -5.251 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -2.836 1.323 -5.968 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -4.791 1.741 -3.797 1.00 0.00 C ATOM 0 H ILE B 119 -5.602 4.162 -6.657 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.355 3.826 -4.950 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.394 2.089 -7.218 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.003 2.542 -5.354 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.585 0.853 -5.563 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.120 0.281 -6.116 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.052 1.589 -6.677 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.466 1.458 -4.951 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.654 1.454 -3.197 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -4.002 0.998 -3.677 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.427 2.714 -3.466 1.00 0.00 H new ATOM 1903 N GLU B 120 -2.902 4.360 -8.173 1.00 0.00 N ATOM 1904 CA GLU B 120 -1.947 4.821 -9.168 1.00 0.00 C ATOM 1905 C GLU B 120 -1.251 6.089 -8.672 1.00 0.00 C ATOM 1906 O GLU B 120 -0.023 6.168 -8.654 1.00 0.00 O ATOM 1907 CB GLU B 120 -2.668 5.081 -10.494 1.00 0.00 C ATOM 1908 CG GLU B 120 -1.764 5.572 -11.613 1.00 0.00 C ATOM 1909 CD GLU B 120 -0.714 4.559 -12.020 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -1.022 3.672 -12.843 1.00 0.00 O ATOM 1911 OE2 GLU B 120 0.432 4.659 -11.543 1.00 0.00 O1- ATOM 0 H GLU B 120 -3.861 4.291 -8.514 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.190 4.053 -9.329 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -3.156 4.161 -10.815 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.454 5.818 -10.328 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -2.374 5.822 -12.481 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -1.270 6.490 -11.296 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.047 7.064 -8.239 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.511 8.302 -7.681 1.00 0.00 C ATOM 1920 C GLU B 121 -0.658 8.007 -6.455 1.00 0.00 C ATOM 1921 O GLU B 121 0.424 8.567 -6.295 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.642 9.260 -7.300 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.466 9.737 -8.482 1.00 0.00 C ATOM 1924 CD GLU B 121 -2.645 10.504 -9.495 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -2.457 11.728 -9.313 1.00 0.00 O ATOM 1926 OE2 GLU B 121 -2.192 9.893 -10.484 1.00 0.00 O1- ATOM 0 H GLU B 121 -3.066 7.020 -8.264 1.00 0.00 H new ATOM 0 HA GLU B 121 -0.892 8.774 -8.444 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.300 8.764 -6.587 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.217 10.126 -6.793 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -3.926 8.877 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -4.276 10.371 -8.122 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.157 7.113 -5.605 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.457 6.707 -4.391 1.00 0.00 C ATOM 1935 C PHE B 122 0.952 6.248 -4.721 1.00 0.00 C ATOM 1936 O PHE B 122 1.926 6.758 -4.172 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.221 5.571 -3.708 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.649 5.146 -2.383 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -1.009 5.799 -1.215 1.00 0.00 C ATOM 1940 CD2 PHE B 122 0.244 4.088 -2.304 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.489 5.408 0.005 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.767 3.693 -1.089 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.400 4.354 0.068 1.00 0.00 C ATOM 0 H PHE B 122 -2.056 6.651 -5.739 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.400 7.563 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.255 5.882 -3.561 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.240 4.709 -4.375 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.705 6.624 -1.258 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.534 3.567 -3.204 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -0.778 5.926 0.907 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.462 2.868 -1.043 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.808 4.046 1.019 1.00 0.00 H new ATOM 1953 N CYS B 123 1.043 5.293 -5.635 1.00 0.00 N ATOM 1954 CA CYS B 123 2.320 4.751 -6.055 1.00 0.00 C ATOM 1955 C CYS B 123 3.225 5.854 -6.585 1.00 0.00 C ATOM 1956 O CYS B 123 4.361 5.995 -6.141 1.00 0.00 O ATOM 1957 CB CYS B 123 2.107 3.681 -7.129 1.00 0.00 C ATOM 1958 SG CYS B 123 1.027 2.325 -6.610 1.00 0.00 S ATOM 0 H CYS B 123 0.237 4.876 -6.102 1.00 0.00 H new ATOM 0 HA CYS B 123 2.804 4.296 -5.191 1.00 0.00 H new ATOM 0 HB2 CYS B 123 1.683 4.151 -8.017 1.00 0.00 H new ATOM 0 HB3 CYS B 123 3.075 3.271 -7.417 1.00 0.00 H new ATOM 0 HG CYS B 123 -0.188 2.766 -6.475 1.00 0.00 H new ATOM 1964 N GLN B 124 2.698 6.665 -7.494 1.00 0.00 N ATOM 1965 CA GLN B 124 3.502 7.672 -8.183 1.00 0.00 C ATOM 1966 C GLN B 124 4.032 8.729 -7.219 1.00 0.00 C ATOM 1967 O GLN B 124 5.236 8.968 -7.156 1.00 0.00 O ATOM 1968 CB GLN B 124 2.698 8.341 -9.299 1.00 0.00 C ATOM 1969 CG GLN B 124 2.233 7.378 -10.380 1.00 0.00 C ATOM 1970 CD GLN B 124 3.367 6.559 -10.968 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.513 7.006 -11.024 1.00 0.00 O ATOM 1972 NE2 GLN B 124 3.054 5.357 -11.416 1.00 0.00 N ATOM 0 H GLN B 124 1.717 6.647 -7.773 1.00 0.00 H new ATOM 0 HA GLN B 124 4.356 7.155 -8.621 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.828 8.832 -8.863 1.00 0.00 H new ATOM 0 HB3 GLN B 124 3.308 9.120 -9.757 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.484 6.705 -9.963 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.747 7.941 -11.177 1.00 0.00 H new ATOM 0 HE21 GLN B 124 2.092 5.023 -11.351 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.774 4.762 -11.827 1.00 0.00 H new ATOM 1981 N ILE B 125 3.129 9.347 -6.465 1.00 0.00 N ATOM 1982 CA ILE B 125 3.498 10.398 -5.520 1.00 0.00 C ATOM 1983 C ILE B 125 4.494 9.872 -4.490 1.00 0.00 C ATOM 1984 O ILE B 125 5.483 10.531 -4.163 1.00 0.00 O ATOM 1985 CB ILE B 125 2.246 10.944 -4.791 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.262 11.527 -5.806 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.634 11.996 -3.755 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.106 11.813 -5.230 1.00 0.00 C ATOM 0 H ILE B 125 2.131 9.138 -6.490 1.00 0.00 H new ATOM 0 HA ILE B 125 3.962 11.206 -6.086 1.00 0.00 H new ATOM 0 HB ILE B 125 1.764 10.119 -4.267 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.676 12.450 -6.212 1.00 0.00 H new ATOM 0 HG13 ILE B 125 1.158 10.832 -6.639 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.737 12.364 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.302 11.551 -3.018 1.00 0.00 H new ATOM 0 HG23 ILE B 125 3.140 12.825 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.749 12.224 -6.008 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.541 10.889 -4.850 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.015 12.532 -4.416 1.00 0.00 H new ATOM 2000 N LEU B 126 4.236 8.666 -4.012 1.00 0.00 N ATOM 2001 CA LEU B 126 5.047 8.060 -2.974 1.00 0.00 C ATOM 2002 C LEU B 126 6.421 7.648 -3.497 1.00 0.00 C ATOM 2003 O LEU B 126 7.446 8.050 -2.943 1.00 0.00 O ATOM 2004 CB LEU B 126 4.327 6.844 -2.403 1.00 0.00 C ATOM 2005 CG LEU B 126 5.048 6.158 -1.256 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.300 7.146 -0.136 1.00 0.00 C ATOM 2007 CD2 LEU B 126 4.244 4.968 -0.770 1.00 0.00 C ATOM 0 H LEU B 126 3.462 8.084 -4.332 1.00 0.00 H new ATOM 0 HA LEU B 126 5.198 8.804 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.339 7.152 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.175 6.120 -3.203 1.00 0.00 H new ATOM 0 HG LEU B 126 6.013 5.791 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.817 6.645 0.682 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.915 7.966 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.349 7.539 0.223 1.00 0.00 H new ATOM 0 HD21 LEU B 126 4.771 4.484 0.052 1.00 0.00 H new ATOM 0 HD22 LEU B 126 3.266 5.305 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU B 126 4.116 4.258 -1.587 1.00 0.00 H new ATOM 2019 N LEU B 127 6.447 6.859 -4.572 1.00 0.00 N ATOM 2020 CA LEU B 127 7.701 6.299 -5.067 1.00 0.00 C ATOM 2021 C LEU B 127 8.618 7.407 -5.558 1.00 0.00 C ATOM 2022 O LEU B 127 9.840 7.271 -5.533 1.00 0.00 O ATOM 2023 CB LEU B 127 7.456 5.266 -6.186 1.00 0.00 C ATOM 2024 CG LEU B 127 7.101 5.826 -7.575 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.357 6.151 -8.376 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.229 4.843 -8.340 1.00 0.00 C ATOM 0 H LEU B 127 5.622 6.596 -5.111 1.00 0.00 H new ATOM 0 HA LEU B 127 8.185 5.782 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.351 4.652 -6.285 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.649 4.605 -5.869 1.00 0.00 H new ATOM 0 HG LEU B 127 6.543 6.751 -7.429 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.074 6.545 -9.352 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.947 6.896 -7.842 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.949 5.245 -8.508 1.00 0.00 H new ATOM 0 HD21 LEU B 127 5.988 5.256 -9.320 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.765 3.902 -8.465 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.308 4.665 -7.785 1.00 0.00 H new ATOM 2038 N ASP B 128 8.015 8.502 -6.000 1.00 0.00 N ATOM 2039 CA ASP B 128 8.761 9.640 -6.512 1.00 0.00 C ATOM 2040 C ASP B 128 9.692 10.183 -5.447 1.00 0.00 C ATOM 2041 O ASP B 128 10.863 10.455 -5.703 1.00 0.00 O ATOM 2042 CB ASP B 128 7.804 10.739 -6.961 1.00 0.00 C ATOM 2043 CG ASP B 128 8.506 11.839 -7.730 1.00 0.00 C ATOM 2044 OD1 ASP B 128 8.943 11.585 -8.874 1.00 0.00 O1- ATOM 2045 OD2 ASP B 128 8.635 12.961 -7.191 1.00 0.00 O ATOM 0 H ASP B 128 7.003 8.625 -6.013 1.00 0.00 H new ATOM 0 HA ASP B 128 9.352 9.307 -7.366 1.00 0.00 H new ATOM 0 HB2 ASP B 128 7.024 10.304 -7.586 1.00 0.00 H new ATOM 0 HB3 ASP B 128 7.312 11.167 -6.088 1.00 0.00 H new ATOM 2050 N LYS B 129 9.168 10.311 -4.240 1.00 0.00 N ATOM 2051 CA LYS B 129 9.946 10.837 -3.131 1.00 0.00 C ATOM 2052 C LYS B 129 10.828 9.740 -2.546 1.00 0.00 C ATOM 2053 O LYS B 129 11.930 10.003 -2.067 1.00 0.00 O ATOM 2054 CB LYS B 129 9.025 11.416 -2.052 1.00 0.00 C ATOM 2055 CG LYS B 129 7.909 12.294 -2.602 1.00 0.00 C ATOM 2056 CD LYS B 129 8.432 13.332 -3.581 1.00 0.00 C ATOM 2057 CE LYS B 129 7.296 14.088 -4.248 1.00 0.00 C ATOM 2058 NZ LYS B 129 7.764 14.860 -5.428 1.00 0.00 N1+ ATOM 0 H LYS B 129 8.209 10.058 -4.003 1.00 0.00 H new ATOM 0 HA LYS B 129 10.583 11.640 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.584 10.596 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.623 12.000 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS B 129 7.167 11.669 -3.098 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.403 12.796 -1.777 1.00 0.00 H new ATOM 0 HD2 LYS B 129 9.080 14.034 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS B 129 9.041 12.843 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.523 13.384 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS B 129 6.839 14.767 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 6.993 15.467 -5.774 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 8.575 15.452 -5.156 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 8.052 14.203 -6.181 1.00 0.00 H new ATOM 2072 N LEU B 130 10.344 8.501 -2.612 1.00 0.00 N ATOM 2073 CA LEU B 130 11.108 7.349 -2.140 1.00 0.00 C ATOM 2074 C LEU B 130 12.336 7.099 -3.011 1.00 0.00 C ATOM 2075 O LEU B 130 13.320 6.533 -2.552 1.00 0.00 O ATOM 2076 CB LEU B 130 10.234 6.093 -2.097 1.00 0.00 C ATOM 2077 CG LEU B 130 9.203 6.058 -0.966 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.258 4.882 -1.143 1.00 0.00 C ATOM 2079 CD2 LEU B 130 9.897 5.967 0.383 1.00 0.00 C ATOM 0 H LEU B 130 9.425 8.270 -2.988 1.00 0.00 H new ATOM 0 HA LEU B 130 11.446 7.577 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.710 6.001 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU B 130 10.882 5.221 -2.004 1.00 0.00 H new ATOM 0 HG LEU B 130 8.625 6.981 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU B 130 7.532 4.873 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU B 130 7.735 4.975 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU B 130 8.827 3.953 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.149 5.943 1.176 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.497 5.058 0.423 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.543 6.835 0.519 1.00 0.00 H new ATOM 2091 N ASN B 131 12.276 7.511 -4.271 1.00 0.00 N ATOM 2092 CA ASN B 131 13.436 7.416 -5.152 1.00 0.00 C ATOM 2093 C ASN B 131 14.275 8.683 -5.082 1.00 0.00 C ATOM 2094 O ASN B 131 15.439 8.694 -5.481 1.00 0.00 O ATOM 2095 CB ASN B 131 13.012 7.150 -6.599 1.00 0.00 C ATOM 2096 CG ASN B 131 12.710 5.686 -6.858 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.594 4.917 -7.239 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.465 5.291 -6.657 1.00 0.00 N ATOM 0 H ASN B 131 11.444 7.911 -4.705 1.00 0.00 H new ATOM 0 HA ASN B 131 14.039 6.576 -4.809 1.00 0.00 H new ATOM 0 HB2 ASN B 131 12.129 7.746 -6.831 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.804 7.479 -7.272 1.00 0.00 H new ATOM 0 HD21 ASN B 131 11.207 4.317 -6.818 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.763 5.960 -6.341 1.00 0.00 H new ATOM 2105 N ALA B 132 13.686 9.744 -4.549 1.00 0.00 N ATOM 2106 CA ALA B 132 14.374 11.023 -4.439 1.00 0.00 C ATOM 2107 C ALA B 132 15.245 11.070 -3.199 1.00 0.00 C ATOM 2108 O ALA B 132 16.105 11.937 -3.055 1.00 0.00 O ATOM 2109 CB ALA B 132 13.377 12.171 -4.435 1.00 0.00 C ATOM 0 H ALA B 132 12.733 9.745 -4.186 1.00 0.00 H new ATOM 0 HA ALA B 132 15.021 11.131 -5.310 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.912 13.117 -4.352 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.804 12.158 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.700 12.062 -3.588 1.00 0.00 H new ATOM 2115 N VAL B 133 15.028 10.120 -2.318 1.00 0.00 N ATOM 2116 CA VAL B 133 15.810 10.020 -1.099 1.00 0.00 C ATOM 2117 C VAL B 133 16.959 9.039 -1.310 1.00 0.00 C ATOM 2118 O VAL B 133 17.951 9.032 -0.579 1.00 0.00 O ATOM 2119 CB VAL B 133 14.927 9.581 0.096 1.00 0.00 C ATOM 2120 CG1 VAL B 133 14.230 8.267 -0.200 1.00 0.00 C ATOM 2121 CG2 VAL B 133 15.749 9.469 1.366 1.00 0.00 C ATOM 0 H VAL B 133 14.313 9.400 -2.421 1.00 0.00 H new ATOM 0 HA VAL B 133 16.217 11.003 -0.862 1.00 0.00 H new ATOM 0 HB VAL B 133 14.166 10.347 0.247 1.00 0.00 H new ATOM 0 HG11 VAL B 133 13.616 7.980 0.654 1.00 0.00 H new ATOM 0 HG12 VAL B 133 13.597 8.381 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL B 133 14.975 7.494 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL B 133 15.106 9.159 2.190 1.00 0.00 H new ATOM 0 HG22 VAL B 133 16.538 8.731 1.225 1.00 0.00 H new ATOM 0 HG23 VAL B 133 16.195 10.436 1.598 1.00 0.00 H new ATOM 2131 N LYS B 134 16.820 8.233 -2.348 1.00 0.00 N ATOM 2132 CA LYS B 134 17.827 7.250 -2.703 1.00 0.00 C ATOM 2133 C LYS B 134 18.857 7.858 -3.643 1.00 0.00 C ATOM 2134 O LYS B 134 18.715 7.796 -4.864 1.00 0.00 O ATOM 2135 CB LYS B 134 17.168 6.039 -3.361 1.00 0.00 C ATOM 2136 CG LYS B 134 16.052 5.438 -2.528 1.00 0.00 C ATOM 2137 CD LYS B 134 16.573 4.819 -1.243 1.00 0.00 C ATOM 2138 CE LYS B 134 15.434 4.440 -0.314 1.00 0.00 C ATOM 2139 NZ LYS B 134 15.905 3.671 0.868 1.00 0.00 N1+ ATOM 0 H LYS B 134 16.009 8.242 -2.966 1.00 0.00 H new ATOM 0 HA LYS B 134 18.334 6.928 -1.793 1.00 0.00 H new ATOM 0 HB2 LYS B 134 16.769 6.334 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS B 134 17.925 5.277 -3.545 1.00 0.00 H new ATOM 0 HG2 LYS B 134 15.322 6.211 -2.288 1.00 0.00 H new ATOM 0 HG3 LYS B 134 15.532 4.678 -3.112 1.00 0.00 H new ATOM 0 HD2 LYS B 134 17.165 3.934 -1.477 1.00 0.00 H new ATOM 0 HD3 LYS B 134 17.237 5.523 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS B 134 14.925 5.344 0.022 1.00 0.00 H new ATOM 0 HE3 LYS B 134 14.702 3.847 -0.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 134 15.094 3.434 1.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 134 16.367 2.795 0.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 134 16.584 4.245 1.408 1.00 0.00 H new ATOM 2153 N LYS B 135 19.877 8.469 -3.066 1.00 0.00 N ATOM 2154 CA LYS B 135 20.976 9.016 -3.839 1.00 0.00 C ATOM 2155 C LYS B 135 22.296 8.617 -3.194 1.00 0.00 C ATOM 2156 O LYS B 135 23.015 7.789 -3.789 1.00 0.00 O ATOM 2157 CB LYS B 135 20.875 10.549 -3.993 1.00 0.00 C ATOM 2158 CG LYS B 135 20.821 11.331 -2.686 1.00 0.00 C ATOM 2159 CD LYS B 135 19.419 11.371 -2.102 1.00 0.00 C ATOM 2160 CE LYS B 135 19.414 11.965 -0.704 1.00 0.00 C ATOM 2161 NZ LYS B 135 20.158 11.114 0.263 1.00 0.00 N1+ ATOM 2162 OXT LYS B 135 22.584 9.081 -2.077 1.00 0.00 O ATOM 0 H LYS B 135 19.966 8.599 -2.058 1.00 0.00 H new ATOM 0 HA LYS B 135 20.924 8.601 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS B 135 21.731 10.897 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS B 135 19.983 10.782 -4.574 1.00 0.00 H new ATOM 0 HG2 LYS B 135 21.501 10.878 -1.965 1.00 0.00 H new ATOM 0 HG3 LYS B 135 21.171 12.349 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS B 135 18.770 11.960 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS B 135 19.008 10.362 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS B 135 19.860 12.959 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS B 135 18.385 12.086 -0.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 135 19.873 11.360 1.233 1.00 0.00 H new ATOM 0 HZ2 LYS B 135 19.942 10.113 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS B 135 21.180 11.273 0.151 1.00 0.00 H new TER 2176 LYS B 135